,feature_id,component_id,structure_taxonomy_npclassifier_01pathway_consensus,structure_taxonomy_npclassifier_02superclass_consensus,structure_taxonomy_npclassifier_03class_consensus,msms_score,libname,structure_inchikey,structure_inchi,structure_smiles,structure_molecular_formula,adduct,structure_exact_mass,short_inchikey,structure_taxonomy_npclassifier_01pathway,structure_taxonomy_npclassifier_02superclass,structure_taxonomy_npclassifier_03class,organism_name,organism_taxonomy_ottid,organism_taxonomy_01domain,organism_taxonomy_02kingdom,organism_taxonomy_03phylum,organism_taxonomy_04class,organism_taxonomy_05order,organism_taxonomy_06family,organism_taxonomy_07tribe,organism_taxonomy_08genus,organism_taxonomy_09species,score_taxo,score_max_consistency,final_score 0,4378,932,,,,0.74404764,ISDB,,,,,,,AYGDIAGADYTJRY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9761905670166016 1,4376,135,Fatty acids,Fatty esters,Wax monoesters,0.23082381,ISDB,,,,,,,JJVRZRKVKYGUEV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.923295259475708 2,4375,138,Shikimates and Phenylpropanoids,Cyclic polyketides,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3,4375,138,Shikimates and Phenylpropanoids,Cyclic polyketides,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4,4375,138,Shikimates and Phenylpropanoids,Cyclic polyketides,Simple coumarins,0.0,MS1_match,CIWXNUFLRXYBQV-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-8-4-3-7-6(10(8)12)2-5-9(11)14-7/h2-5,12H,1H3",COc1ccc2oc(=O)ccc2c1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,CIWXNUFLRXYBQV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 5,4374,573,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.66746634,ISDB,XUPOXAWUFYMMTR-BIGNPOOSSA-N,"InChI=1S/C14H20O2/c1-8(2)9-4-5-11(15)10-6-7-14(3)13(16-14)12(9)10/h8-9,13H,4-7H2,1-3H3/t9-,13+,14-/m1/s1",CC(C)[C@H]1CCC(=O)C2=C1[C@@H]1O[C@]1(C)CC2,C14H20O2,,220.14632988,XUPOXAWUFYMMTR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Alpinia oxyphylla,144287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia oxyphylla'],4,3,8.169865369796753 6,4368,2,Fatty acids,Fatty amides,Fatty aldehydes,0.8063179,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,2,8.225271701812744 7,4366,340,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,BZANQLIRVMZFOS-HOTMZDKISA-N,"InChI=1S/C10H20O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h6-14H,2-5H2,1H3/t6-,7-,8+,9-,10-/m1/s1",CCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H20O6,pos_2_2proton2acetonitrile,236.12598836,BZANQLIRVMZFOS,,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 8,4364,187,Terpenoids,Sesquiterpenoids,Open-chain polyketides,0.0,MS1_match,BZODLVUNDCEFAE-GADBESIXSA-N,"InChI=1S/C16H24O5/c1-9(2)11-5-6-15(3)8-12-10(14(18)19-4)7-13(17)16(11,15)21-20-12/h7,9,11-13,17H,5-6,8H2,1-4H3/t11-,12+,13+,15-,16+/m1/s1",COC(=O)C1=C[C@H](O)[C@]23OO[C@H]1C[C@@]2(C)CC[C@@H]3C(C)C,C16H24O5,pos_1_1proton1ethylamine,296.162373868,BZODLVUNDCEFAE,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,2,7.0 9,4363,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,PHYRDHNRZZXQPO-BDAKNGLRSA-N,"InChI=1S/C10H16O3/c1-7(2)5-9-6-8(10(11)12)3-4-13-9/h5,8-9H,3-4,6H2,1-2H3,(H,11,12)/t8-,9+/m1/s1",CC(C)=C[C@H]1C[C@H](C(=O)O)CCO1,C10H16O3,pos_1_1proton1ethylamine,184.109944372,PHYRDHNRZZXQPO,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Sibiraea angustata,1004734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Sibiraea'],['Sibiraea angustata'],6,3,7.5 10,4360,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.35013515,ISDB,MQJPOSCYXGJLPQ-IUOWXXPRSA-N,"InChI=1S/C18H28O3/c1-5-16(19)20-13-14(2)7-6-10-18(4)15-8-11-17(3,21-18)12-9-15/h7-8,11,15H,5-6,9-10,12-13H2,1-4H3/b14-7+/t15-,17+,18-/m0/s1",CCC(=O)OC/C(C)=C/CC[C@]1(C)O[C@]2(C)C=C[C@H]1CC2,C18H28O3,,292.203844756,MQJPOSCYXGJLPQ,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Artemisia sieberi,324847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia sieberi'],4,2,6.400540590286255 11,4359,-1,,,,0.20675488,ISDB,,,,,,,CWPPKIPNSISLIX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8270195126533508 12,4351,248,Polyketides,Aromatic polyketides,Catechols with side chains,0.30242792,ISDB,GBNNUJZVXOCNQU-UHFFFAOYSA-N,"InChI=1S/C24H32O3/c1-19(25)24-21(17-22(26)18-23(24)27)16-12-7-5-3-2-4-6-9-13-20-14-10-8-11-15-20/h8,10-11,14-15,17-18,26-27H,2-7,9,12-13,16H2,1H3",CC(=O)c1c(O)cc(O)cc1CCCCCCCCCCc1ccccc1,C24H32O3,,368.235144884,GBNNUJZVXOCNQU,Polyketides,Aromatic polyketides,Catechols with side chains,Knema glomerata,6028406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema glomerata'],4,3,6.709711670875549 13,4344,-1,,,,0.48146594,ISDB,AQYVTAUQOOLBQC-ITDHJIIESA-N,"InChI=1S/C27H42O2/c1-17(2)5-10-25-18(3)22-8-9-24-21-7-6-19-15-20(28)11-13-26(19,4)23(21)12-14-27(22,24)16-29-25/h6,17,20-24,28H,5,7-16H2,1-4H3/t20-,21+,22+,23-,24-,26-,27-/m0/s1",CC1=C(CCC(C)C)OC[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13,C27H42O2,,398.318480584,AQYVTAUQOOLBQC,Terpenoids,Steroids,Cholestane steroids,Axinella bidderi,2835406.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Axinellidae'],['Unknown'],['Axinella'],['Axinella bidderi'],0,0,1.9258637428283691 14,4343,308,Fatty acids,Fatty amides,Primary amides,0.64183617,ISDB,LYRFLYHAGKPMFH-UHFFFAOYSA-N,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",CCCCCCCCCCCCCCCCCC(N)=O,C18H37NO,,283.287514804,LYRFLYHAGKPMFH,Fatty acids,Fatty amides,Primary amides,Annona glabra,209798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona glabra'],4,3,8.067344665527344 15,4340,80,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,FIGVVZUWCLSUEI-UHFFFAOYSA-N,"InChI=1S/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCC,C23H48,pos_1_minus1proton2sodium,324.375601536,FIGVVZUWCLSUEI,Fatty acids,Fatty acyls,Hydrocarbons,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,3,9.5 16,4339,-1,,,,0.468109,ISDB,,,,,,,RYMUSZUPTNHGRR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8724360466003418 17,4335,601,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,ZTJFINKUHDHOSM-KEJCWXRGSA-N,"InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,20-21,23-27,30H,2,7,11-18H2,1,3-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1",C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)CC,C29H46O,pos_2MMg,410.3548660919999,ZTJFINKUHDHOSM,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 18,4335,601,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,ZTJFINKUHDHOSM-KEJCWXRGSA-N,"InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,20-21,23-27,30H,2,7,11-18H2,1,3-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1",C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)CC,C29H46O,pos_2MMg,410.3548660919999,ZTJFINKUHDHOSM,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 19,4323,382,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7339581,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],4,3,8.435832500457764 20,4315,382,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.70935684,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],4,3,8.337427377700806 21,4314,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.607599,ISDB,NKIVMWHPFMFYBF-UHFFFAOYSA-N,"InChI=1S/C26H38O/c27-26-22-16-21-25(23-26)20-13-10-8-6-4-2-1-3-5-7-9-12-17-24-18-14-11-15-19-24/h11,14-16,18-19,21-23,27H,1-10,12-13,17,20H2",Oc1cccc(CCCCCCCCCCCCCCc2ccccc2)c1,C26H38O,,366.292265836,NKIVMWHPFMFYBF,Polyketides,Aromatic polyketides,Catechols with side chains,Tapirira obtusa,982250.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Tapirira'],['Tapirira obtusa'],0,0,2.43039608001709 22,4313,-1,,,,0.0,MS1_match,JUFKQNCQDFHWFD-AATRIKPKSA-N,"InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,10-11,14-15H,7-8H2,1-4H3/b6-5+",CC1=C(/C=C/C(C)O)C(C)(C)CC(O)C1,C13H22O2,pos_2MHCH3CN,210.161979944,JUFKQNCQDFHWFD,Terpenoids,Apocarotenoids,Megastigmanes,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 23,4313,-1,,,,0.0,MS1_match,JUFKQNCQDFHWFD-AATRIKPKSA-N,"InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,10-11,14-15H,7-8H2,1-4H3/b6-5+",CC1=C(/C=C/C(C)O)C(C)(C)CC(O)C1,C13H22O2,pos_2MHCH3CN,210.161979944,JUFKQNCQDFHWFD,Terpenoids,Apocarotenoids,Megastigmanes,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 24,4313,-1,,,,0.0,MS1_match,OFNWHGQGQMQIGF-AATRIKPKSA-N,"InChI=1S/C13H22O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6,9,12,14-15H,7-8H2,1-4H3/b6-5+",CC1=C(/C=C/C(C)O)C(C)(C)CCC1O,C13H22O2,pos_2MHCH3CN,210.161979944,OFNWHGQGQMQIGF,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 25,4312,555,Fatty acids,Fatty acyls,Fatty alcohols,0.5792944,ISDB,QRFJDYPDABYWFH-FNORWQNLSA-N,"InChI=1S/C17H34O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h5,7,17-18H,3-4,6,8-16H2,1-2H3/b7-5+",CCC(C)CCCC/C=C/CCCCCCCO,C17H34O,,254.260965708,QRFJDYPDABYWFH,Fatty acids,Fatty acyls,Fatty alcohols,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],0,3,3.8171775341033936 26,4311,182,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,NOOLISFMXDJSKH-UHFFFAOYSA-N,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",CC1CCC(C(C)C)C(O)C1,C10H20O,pos_2MHCH3CN,156.15141526,NOOLISFMXDJSKH,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 27,4307,213,Terpenoids,Steroids,Cholestane steroids,0.2031861,ISDB,OXCLERMCUJFPAJ-JYHGMIBOSA-N,"InChI=1S/C28H42O4/c1-17(2)8-7-9-18(3)20-12-13-21-19-10-11-23-24(29)28(31,25(30)32-6)16-27(23,5)22(19)14-15-26(20,21)4/h8,11,18-22,31H,7,9-10,12-16H2,1-6H3/t18-,19+,20-,21+,22+,26-,27-,28+/m1/s1",COC(=O)[C@]1(O)C[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC=C(C)C)[C@@]4(C)CC[C@@H]32)C1=O,C28H42O4,,442.308309824,OXCLERMCUJFPAJ,Terpenoids,Steroids,Cholestane steroids,Phorbas amaranthus,2838643.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Poecilosclerida'],['Hymedesmiidae'],['Unknown'],['Phorbas'],['Phorbas amaranthus'],0,3,2.312744379043579 28,4307,213,Terpenoids,Steroids,Cholestane steroids,0.2031861,ISDB,OXCLERMCUJFPAJ-JYHGMIBOSA-N,"InChI=1S/C28H42O4/c1-17(2)8-7-9-18(3)20-12-13-21-19-10-11-23-24(29)28(31,25(30)32-6)16-27(23,5)22(19)14-15-26(20,21)4/h8,11,18-22,31H,7,9-10,12-16H2,1-6H3/t18-,19+,20-,21+,22+,26-,27-,28+/m1/s1",COC(=O)[C@]1(O)C[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC=C(C)C)[C@@]4(C)CC[C@@H]32)C1=O,C28H42O4,,442.308309824,OXCLERMCUJFPAJ,Terpenoids,Steroids,Cholestane steroids,Antho graceae,2837132.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Poecilosclerida'],['Microcionidae'],['Unknown'],['Antho'],['Antho graceae'],0,3,2.312744379043579 29,4297,102,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_1potassium,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 30,4297,102,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_1potassium,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 31,4297,102,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_1potassium,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 32,4297,102,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_1potassium,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 33,4297,102,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_1potassium,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 34,4297,102,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_1potassium,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 35,4287,-1,,,,0.2530391,ISDB,GSBKHIDNJGPPFQ-JKEFVMIESA-N,"InChI=1S/C31H46O6/c1-9-20(6)24(32)23-25(33)30(14-10-18(2)3,15-11-19(4)5)27(35)31(26(23)34)16-22-21(29(8,37)17-31)12-13-28(22,7)36/h10-11,20-22,33,36-37H,9,12-17H2,1-8H3/t20?,21-,22+,28-,29-,31+/m1/s1",CCC(C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C1=O,C31H46O6,,514.3294391919999,GSBKHIDNJGPPFQ,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Hypericum henryi,657316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum henryi'],4,0,5.012156367301941 36,4287,-1,,,,0.2530391,ISDB,GSBKHIDNJGPPFQ-AECORHAGSA-N,"InChI=1S/C31H46O6/c1-9-20(6)24(32)23-25(33)30(14-10-18(2)3,15-11-19(4)5)27(35)31(26(23)34)16-22-21(29(8,37)17-31)12-13-28(22,7)36/h10-11,20-22,33,36-37H,9,12-17H2,1-8H3/t20-,21+,22-,28+,29+,31-/m0/s1",CC[C@H](C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C1=O,C31H46O6,,514.329439192,GSBKHIDNJGPPFQ,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Hypericum ascyron,215651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum ascyron'],4,0,5.012156367301941 37,4286,54,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,BJQWYEJQWHSSCJ-UHFFFAOYSA-N,"InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCC,C27H56,pos_1_minus1proton2sodium,380.438201792,BJQWYEJQWHSSCJ,Fatty acids,Fatty acyls,Hydrocarbons,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,3,9.5 38,4286,54,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,BJQWYEJQWHSSCJ-UHFFFAOYSA-N,"InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCC,C27H56,pos_1_minus1proton2sodium,380.438201792,BJQWYEJQWHSSCJ,Fatty acids,Fatty acyls,Hydrocarbons,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 39,4283,248,Polyketides,Aromatic polyketides,Catechols with side chains,0.30242792,ISDB,GBNNUJZVXOCNQU-UHFFFAOYSA-N,"InChI=1S/C24H32O3/c1-19(25)24-21(17-22(26)18-23(24)27)16-12-7-5-3-2-4-6-9-13-20-14-10-8-11-15-20/h8,10-11,14-15,17-18,26-27H,2-7,9,12-13,16H2,1H3",CC(=O)c1c(O)cc(O)cc1CCCCCCCCCCc1ccccc1,C24H32O3,,368.235144884,GBNNUJZVXOCNQU,Polyketides,Aromatic polyketides,Catechols with side chains,Knema glomerata,6028406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema glomerata'],4,3,6.709711670875549 40,4282,-1,,,,0.47194707,ISDB,YEQBGJNMHDZXRG-NMTUBSNHSA-N,"InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18+,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1",C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1[C@H]2C,C27H40O2,,396.30283051999993,YEQBGJNMHDZXRG,Terpenoids,Steroids,Spirostane steroids,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],4,0,5.88778829574585 41,4275,54,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,POOSGDOYLQNASK-UHFFFAOYSA-N,"InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCC,C24H50,pos_1_minus1proton2sodium,338.3912516,POOSGDOYLQNASK,Fatty acids,Fatty acyls,Hydrocarbons,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 42,4275,54,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,POOSGDOYLQNASK-UHFFFAOYSA-N,"InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCC,C24H50,pos_1_minus1proton2sodium,338.3912516,POOSGDOYLQNASK,Fatty acids,Fatty acyls,Hydrocarbons,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],6,3,7.5 43,4275,54,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,POOSGDOYLQNASK-UHFFFAOYSA-N,"InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCC,C24H50,pos_1_minus1proton2sodium,338.3912516,POOSGDOYLQNASK,Fatty acids,Fatty acyls,Hydrocarbons,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 44,4275,54,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,POOSGDOYLQNASK-UHFFFAOYSA-N,"InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCC,C24H50,pos_1_minus1proton2sodium,338.3912516,POOSGDOYLQNASK,Fatty acids,Fatty acyls,Hydrocarbons,Rosa centifolia,383285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa roxburghii'],6,3,7.5 45,4266,481,Terpenoids,Triterpenoids,Malabaricane triterpenoids,0.5929989,ISDB,UZMFHFOPPCAUPI-GYUGJDNZSA-N,"InChI=1S/C23H30O3/c1-13(14(2)24)21-20(26)12-19-17-6-5-15-11-16(25)7-9-22(15,3)18(17)8-10-23(19,21)4/h11,17-19H,5-10,12H2,1-4H3/b21-13+/t17-,18+,19+,22+,23+/m1/s1",CC(=O)/C(C)=C1\C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C23H30O3,,354.21949482,UZMFHFOPPCAUPI,Terpenoids,Triterpenoids,Malabaricane triterpenoids,Commiphora wightii,968492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora wightii'],4,3,7.871995687484741 46,4254,-1,,,,0.52311355,ISDB,DDLHISCCNYFWOT-PSSYVLGHSA-N,"InChI=1S/C28H40O3/c1-16-19-10-12-27(5)23(26(19,4)14-22(30)24(16)31)8-7-20-18-13-25(2,3)11-9-17(18)21(29)15-28(20,27)6/h7,17-19,23,31H,8-15H2,1-6H3/t17-,18+,19-,23+,26-,27+,28+/m0/s1",CC1=C(O)C(=O)C[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@@H]5C(=O)C[C@@]4(C)[C@]3(C)CC[C@@H]12,C28H40O3,,424.29774514,DDLHISCCNYFWOT,Terpenoids,Triterpenoids,,Physena madagascariensis,684979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Physenaceae'],['Unknown'],['Physena'],['Physena madagascariensis'],4,0,6.092454195022583 47,4253,-1,,,,0.6778291,ISDB,,,,,,,TZOKOSJJIOOKNO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7113163471221924 48,4252,555,Fatty acids,Fatty acyls,Fatty alcohols,0.73476005,ISDB,RHVMNRHQWXIJIS-WAYWQWQTSA-N,"InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,17H,2-4,7-16H2,1H3/b6-5-",CCCC/C=C\CCCCCCCCCCO,C16H32O,,240.245315644,RHVMNRHQWXIJIS,Fatty acids,Fatty acyls,Fatty alcohols,Heliothis maritima,735057.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Lepidoptera'],['Noctuidae'],['Unknown'],['Heliothis'],['Heliothis maritima'],0,3,4.439040184020996 49,4252,555,Fatty acids,Fatty acyls,Fatty alcohols,0.73476005,ISDB,RHVMNRHQWXIJIS-AATRIKPKSA-N,"InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,17H,2-4,7-16H2,1H3/b6-5+",CCCC/C=C/CCCCCCCCCCO,C16H32O,,240.245315644,RHVMNRHQWXIJIS,Fatty acids,Fatty acyls,Fatty alcohols,Leucinodes orbonalis,645308.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Lepidoptera'],['Crambidae'],['Unknown'],['Leucinodes'],['Leucinodes orbonalis'],0,3,4.439040184020996 50,4250,-1,,,,0.76107895,ISDB,,,,,,,YWAXGXIQALUWKR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.044315814971924 51,4248,-1,,,,0.32531723,ISDB,KHLDJVKLPVTEEX-FUDSXMKLSA-N,"InChI=1S/C26H40O3/c1-17(2)6-7-18(3)20-8-9-21-23(20,4)12-11-22-24(5)13-10-19(27)16-25(24)14-15-26(21,22)29-28-25/h6-7,14-15,17-22,27H,8-13,16H2,1-5H3/b7-6+/t18-,19+,20-,21-,22-,23-,24-,25-,26+/m1/s1",CC(C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3,C26H40O3,,400.29774514,KHLDJVKLPVTEEX,Terpenoids,Steroids,Cholestane steroids,Trididemnum inarmatum,3645288.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Didemnidae'],['Unknown'],['Trididemnum'],['Trididemnum inarmatum'],1,0,2.3012689352035522 52,4248,-1,,,,0.32531723,ISDB,KHLDJVKLPVTEEX-FUDSXMKLSA-N,"InChI=1S/C26H40O3/c1-17(2)6-7-18(3)20-8-9-21-23(20,4)12-11-22-24(5)13-10-19(27)16-25(24)14-15-26(21,22)29-28-25/h6-7,14-15,17-22,27H,8-13,16H2,1-5H3/b7-6+/t18-,19+,20-,21-,22-,23-,24-,25-,26+/m1/s1",CC(C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3,C26H40O3,,400.29774514,KHLDJVKLPVTEEX,Terpenoids,Steroids,Cholestane steroids,Eunicella cavolini,115759.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Gorgoniidae'],['Unknown'],['Eunicella'],['Eunicella cavolini'],1,0,2.3012689352035522 53,4248,-1,,,,0.32531723,ISDB,KHLDJVKLPVTEEX-FUDSXMKLSA-N,"InChI=1S/C26H40O3/c1-17(2)6-7-18(3)20-8-9-21-23(20,4)12-11-22-24(5)13-10-19(27)16-25(24)14-15-26(21,22)29-28-25/h6-7,14-15,17-22,27H,8-13,16H2,1-5H3/b7-6+/t18-,19+,20-,21-,22-,23-,24-,25-,26+/m1/s1",CC(C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3,C26H40O3,,400.29774514,KHLDJVKLPVTEEX,Terpenoids,Steroids,Cholestane steroids,Metridium senile,558017.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Actiniaria'],['Metridiidae'],['Unknown'],['Metridium'],['Metridium dianthus'],1,0,2.3012689352035522 54,4245,382,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6916914,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],4,3,8.266765594482422 55,4236,-1,,,,0.45273572,ISDB,,,,,,,ORKHXMGDPOGDKE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8109428882598877 56,4235,601,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,IZEUIYYDWBKERE-ZRODXFKISA-N,"InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C31H50O2,pos_2MMg,454.3810808399999,IZEUIYYDWBKERE,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 57,4235,601,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,IZEUIYYDWBKERE-ZRODXFKISA-N,"InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C31H50O2,pos_2MMg,454.3810808399999,IZEUIYYDWBKERE,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 58,4234,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,CWHBUKZWMZSTEA-UHFFFAOYSA-N,"InChI=1S/C37H64O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-34-40-37(39)33-30-35-28-31-36(38)32-29-35/h28-33,38H,2-27,34H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)cc1,C37H64O3,pos_2MMg,556.485545908,CWHBUKZWMZSTEA,,,,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 59,4230,143,Fatty acids,Fatty amides,Primary amides,0.6435799,ISDB,LYRFLYHAGKPMFH-UHFFFAOYSA-N,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",CCCCCCCCCCCCCCCCCC(N)=O,C18H37NO,,283.287514804,LYRFLYHAGKPMFH,Fatty acids,Fatty amides,Primary amides,Bos taurus,490099.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Artiodactyla'],['Bovidae'],['Unknown'],['Bos'],['Bos taurus'],0,3,4.07431960105896 60,4230,143,Fatty acids,Fatty amides,Primary amides,0.6435799,ISDB,LYRFLYHAGKPMFH-UHFFFAOYSA-N,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",CCCCCCCCCCCCCCCCCC(N)=O,C18H37NO,,283.287514804,LYRFLYHAGKPMFH,Fatty acids,Fatty amides,Primary amides,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],0,3,4.07431960105896 61,4230,143,Fatty acids,Fatty amides,Primary amides,0.6435799,ISDB,LYRFLYHAGKPMFH-UHFFFAOYSA-N,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",CCCCCCCCCCCCCCCCCC(N)=O,C18H37NO,,283.287514804,LYRFLYHAGKPMFH,Fatty acids,Fatty amides,Primary amides,Aeromonas veronii,704628.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Aeromonadales'],['Aeromonadaceae'],['Unknown'],['Aeromonas'],['Aeromonas veronii'],0,3,4.07431960105896 62,4230,143,Fatty acids,Fatty amides,Primary amides,0.6435799,ISDB,LYRFLYHAGKPMFH-UHFFFAOYSA-N,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",CCCCCCCCCCCCCCCCCC(N)=O,C18H37NO,,283.287514804,LYRFLYHAGKPMFH,Fatty acids,Fatty amides,Primary amides,Valsa sordida,382306.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Valsaceae'],['Unknown'],['Valsa'],['Valsa sordida'],0,3,4.07431960105896 63,4230,143,Fatty acids,Fatty amides,Primary amides,0.6435799,ISDB,LYRFLYHAGKPMFH-UHFFFAOYSA-N,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",CCCCCCCCCCCCCCCCCC(N)=O,C18H37NO,,283.287514804,LYRFLYHAGKPMFH,Fatty acids,Fatty amides,Primary amides,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],0,3,4.07431960105896 64,4230,143,Fatty acids,Fatty amides,Primary amides,0.6435799,ISDB,LYRFLYHAGKPMFH-UHFFFAOYSA-N,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",CCCCCCCCCCCCCCCCCC(N)=O,C18H37NO,,283.287514804,LYRFLYHAGKPMFH,Fatty acids,Fatty amides,Primary amides,Annona glabra,209798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona glabra'],0,3,4.07431960105896 65,4230,143,Fatty acids,Fatty amides,Primary amides,0.6435799,ISDB,LYRFLYHAGKPMFH-UHFFFAOYSA-N,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",CCCCCCCCCCCCCCCCCC(N)=O,C18H37NO,,283.287514804,LYRFLYHAGKPMFH,Fatty acids,Fatty amides,Primary amides,Beauveria bassiana,859705.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Cordycipitaceae'],['Unknown'],['Beauveria'],['Beauveria bassiana'],0,3,4.07431960105896 66,4230,143,Fatty acids,Fatty amides,Primary amides,0.6435799,ISDB,LYRFLYHAGKPMFH-UHFFFAOYSA-N,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",CCCCCCCCCCCCCCCCCC(N)=O,C18H37NO,,283.287514804,LYRFLYHAGKPMFH,Fatty acids,Fatty amides,Primary amides,Rhizoclonium hieroglyphicum,871596.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Cladophorales'],['Cladophoraceae'],['Unknown'],['Rhizoclonium'],['Rhizoclonium hieroglyphicum'],0,3,4.07431960105896 67,4225,33,Terpenoids,Triterpenoids,Cholestane steroids,0.0,MS1_match,PHMKDBZGQWXPAZ-MZFJGDBOSA-N,"InChI=1S/C30H50O3/c1-19(2)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h20-25,31-33H,1,7-18H2,2-6H3/t20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O3,pos_2MMg,458.37599546,PHMKDBZGQWXPAZ,Terpenoids,Triterpenoids,Lupane triterpenoids,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,2,7.0 68,4225,33,Terpenoids,Triterpenoids,Cholestane steroids,0.0,MS1_match,PHMKDBZGQWXPAZ-MZFJGDBOSA-N,"InChI=1S/C30H50O3/c1-19(2)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h20-25,31-33H,1,7-18H2,2-6H3/t20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O3,pos_2MMg,458.37599546,PHMKDBZGQWXPAZ,Terpenoids,Triterpenoids,Lupane triterpenoids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,2,7.0 69,4225,33,Terpenoids,Triterpenoids,Cholestane steroids,0.0,MS1_match,PHMKDBZGQWXPAZ-MZFJGDBOSA-N,"InChI=1S/C30H50O3/c1-19(2)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h20-25,31-33H,1,7-18H2,2-6H3/t20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O3,pos_2MMg,458.37599546,PHMKDBZGQWXPAZ,Terpenoids,Triterpenoids,Lupane triterpenoids,Sorbus decora,426112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus decora'],6,2,7.0 70,4225,33,Terpenoids,Triterpenoids,Cholestane steroids,0.0,MS1_match,QFXTWLGVOHRXRN-STADAPJBSA-N,"InChI=1S/C30H50O3/c1-19-9-14-30(18-32)16-15-28(5)21(25(30)20(19)2)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h7,19-20,22-25,31-33H,8-18H2,1-6H3/t19-,20+,22-,23-,24+,25+,26+,27+,28-,29-,30-/m1/s1",C[C@H]1[C@H](C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H50O3,pos_2MMg,458.37599546,QFXTWLGVOHRXRN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sorbus decora,426112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus decora'],6,2,7.0 71,4222,-1,,,,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_1sodium,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 72,4222,-1,,,,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_1sodium,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 73,4208,373,Terpenoids,Triterpenoids,Lupane triterpenoids,0.47215596,ISDB,UYIJFCIEWJYXJY-JOTYZEQESA-N,"InChI=1S/C28H46O3/c1-18(7-10-23(29)30)19-11-13-26(5)21-9-8-20-24(2,3)22(31-6)12-14-27(20)17-28(21,27)16-15-25(19,26)4/h18-22H,7-17H2,1-6H3,(H,29,30)/t18-,19-,20+,21+,22-,25-,26+,27-,28+/m1/s1",CO[C@@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C28H46O3,,430.344695332,UYIJFCIEWJYXJY,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],0,2,2.888623833656311 74,4206,481,Terpenoids,Triterpenoids,Malabaricane triterpenoids,0.6696343,ISDB,,,,,,,AFWZLQOBVFSKMF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.678537130355835 75,4203,33,Terpenoids,Triterpenoids,Cholestane steroids,0.33719292,ISDB,DDLHISCCNYFWOT-PSSYVLGHSA-N,"InChI=1S/C28H40O3/c1-16-19-10-12-27(5)23(26(19,4)14-22(30)24(16)31)8-7-20-18-13-25(2,3)11-9-17(18)21(29)15-28(20,27)6/h7,17-19,23,31H,8-15H2,1-6H3/t17-,18+,19-,23+,26-,27+,28+/m0/s1",CC1=C(O)C(=O)C[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@@H]5C(=O)C[C@@]4(C)[C@]3(C)CC[C@@H]12,C28H40O3,,424.29774514,DDLHISCCNYFWOT,Terpenoids,Triterpenoids,,Physena madagascariensis,684979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Physenaceae'],['Unknown'],['Physena'],['Physena madagascariensis'],4,2,6.348771691322327 76,4198,33,Terpenoids,Triterpenoids,Cholestane steroids,0.0,MS1_match,HVYWMOMLDIMFJA-DPAQBDIFSA-N,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H46O,pos_1_minus1proton1calcium,386.354866092,HVYWMOMLDIMFJA,Terpenoids,Steroids,Cholestane steroids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,3,9.5 77,4198,33,Terpenoids,Triterpenoids,Cholestane steroids,0.0,MS1_match,HVYWMOMLDIMFJA-DPAQBDIFSA-N,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H46O,pos_1_minus1proton1calcium,386.354866092,HVYWMOMLDIMFJA,Terpenoids,Steroids,Cholestane steroids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,3,9.5 78,4196,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_1proton,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 79,4196,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_1proton,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 80,4191,73,Terpenoids,Steroids,Cholestane steroids,0.3170481,ISDB,AMMKCVYTIVZBCS-XFRWUBLRSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h15-16,18-24,29H,7-14,17H2,1-6H3/t19-,20-,21+,22-,23-,24-,25-,26-,27-,28+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3,C28H46O3,,430.344695332,AMMKCVYTIVZBCS,Terpenoids,Steroids,Cholestane steroids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,6.768192410469055 81,4191,73,Terpenoids,Steroids,Cholestane steroids,0.3170481,ISDB,AMMKCVYTIVZBCS-UHFFFAOYSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h15-16,18-24,29H,7-14,17H2,1-6H3",CC(C)C(C)CCC(C)C1CCC2C1(C)CCC1C23C=CC2(CC(O)CCC12C)OO3,C28H46O3,,430.344695332,AMMKCVYTIVZBCS,Terpenoids,Steroids,Cholestane steroids,Helianthus tuberosus,515709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus tuberosus'],4,3,6.768192410469055 82,4189,124,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.38178012,ISDB,HBZNVZIRJWODIB-NHCUFCNUSA-N,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN,C39H74NO8P,,715.515204958,HBZNVZIRJWODIB,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,7.027120471000671 83,4189,124,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.38178012,ISDB,HBZNVZIRJWODIB-NHCUFCNUSA-N,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN,C39H74NO8P,,715.515204958,HBZNVZIRJWODIB,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Lycoris incarnata,992964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Lycoris'],['Lycoris incarnata'],4,3,7.027120471000671 84,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-ASMJPISFSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 85,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HIWPGCMGAMJNRG-CQHUIXDMSA-N,"InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,HIWPGCMGAMJNRG,Carbohydrates,Saccharides,Disaccharides,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,3,7.5 86,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],6,3,7.5 87,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-WFVLMXAXSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,C12H22O11,pos_1_1proton1ammonium,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 88,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-ASMJPISFSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 89,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-WFVLMXAXSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,C12H22O11,pos_1_1proton1ammonium,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 90,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 91,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],6,3,7.5 92,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 93,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 94,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 95,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,3,7.5 96,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 97,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HIWPGCMGAMJNRG-CQHUIXDMSA-N,"InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,HIWPGCMGAMJNRG,Carbohydrates,Saccharides,Disaccharides,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,3,7.5 98,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],6,3,7.5 99,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],6,3,7.5 100,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 101,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],6,3,7.5 102,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 103,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 104,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 105,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,3,7.5 106,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 107,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],6,3,7.5 108,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 109,4188,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 110,4187,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 111,4187,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 112,4181,166,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,OENHQHLEOONYIE-BVZAMQQESA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21-,34-22+",CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_1_1proton,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 113,4181,166,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_1_1proton,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 114,4181,166,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,HRQKOYFGHJYEFS-BXOLYSJBSA-N,"InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_1_1proton,536.438201792,HRQKOYFGHJYEFS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Pyracantha angustifolia,1099101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha angustifolia'],7,0,7.0 115,4181,166,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_1_1proton,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,0,7.0 116,4181,166,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_1_1proton,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Sorbus aucuparia,217673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aucuparia'],7,0,7.0 117,4181,166,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,OENHQHLEOONYIE-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_1_1proton,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Sorbus pallescens,3903574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus pallescens'],7,0,7.0 118,4181,166,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_1_1proton,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Sorbus aucuparia,217673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aucuparia'],7,0,7.0 119,4181,166,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,OAIJSZIZWZSQBC-GYZMGTAESA-N,"InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C,C40H56,pos_1_1proton,536.438201792,OAIJSZIZWZSQBC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,0,7.0 120,4181,166,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_1_1proton,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,0,7.0 121,4181,166,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,OENHQHLEOONYIE-UKMVMLAPSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14?,27-25+,28-26?,31-17+,32-18?,33-21+,34-22?",CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_1_1proton,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,0,7.0 122,4181,166,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,OAIJSZIZWZSQBC-GYZMGTAESA-N,"InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C,C40H56,pos_1_1proton,536.438201792,OAIJSZIZWZSQBC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Pyracantha angustifolia,1099101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha angustifolia'],7,0,7.0 123,4181,166,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_1_1proton,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,0,7.0 124,4179,-1,,,,0.3637399,ISDB,DUPHBXUFGBPMHT-UHFFFAOYSA-N,"InChI=1S/C28H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-21-24-26(29)27(25)28(30)31/h6-7,21,23-24,29H,2-5,8-20,22H2,1H3,(H,30,31)",CCCCCC=CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O,C28H46O3,,430.344695332,DUPHBXUFGBPMHT,Polyketides,Aromatic polyketides,Catechols with side chains,Spondias mombin,317612.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Spondias'],['Spondias mombin'],4,0,5.4549596309661865 125,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-ASMJPISFSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 126,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HIWPGCMGAMJNRG-CQHUIXDMSA-N,"InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,HIWPGCMGAMJNRG,Carbohydrates,Saccharides,Disaccharides,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,3,7.5 127,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],6,3,7.5 128,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-WFVLMXAXSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,C12H22O11,pos_1_1proton1ammonium,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 129,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-ASMJPISFSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 130,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-WFVLMXAXSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,C12H22O11,pos_1_1proton1ammonium,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 131,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 132,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],6,3,7.5 133,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 134,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 135,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 136,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,3,7.5 137,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 138,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HIWPGCMGAMJNRG-CQHUIXDMSA-N,"InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,HIWPGCMGAMJNRG,Carbohydrates,Saccharides,Disaccharides,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,3,7.5 139,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],6,3,7.5 140,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],6,3,7.5 141,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 142,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],6,3,7.5 143,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 144,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 145,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 146,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,3,7.5 147,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 148,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],6,3,7.5 149,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 150,4177,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 151,4175,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HMUJXQRRKBLVOO-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1,C16H14O5,pos_1_1proton1dmso,286.084123548,HMUJXQRRKBLVOO,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,1,8.5 152,4175,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FKAOWOSRYSMEBS-ZDUSSCGKSA-N,"InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1",COc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,FKAOWOSRYSMEBS,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,1,8.5 153,4175,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,1,8.5 154,4175,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],8,1,8.5 155,4175,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,1,8.5 156,4175,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FKAOWOSRYSMEBS-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3",COc1c(O)cc(O)c2c1OC(c1ccccc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,FKAOWOSRYSMEBS,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,1,8.5 157,4175,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DJOJDHGQRNZXQQ-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3",COc1cc(O)c2c(c1)OC(c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,1,8.5 158,4175,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,1,8.5 159,4175,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DJOJDHGQRNZXQQ-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3",COc1cc(O)c2c(c1)OC(c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus pseudocerasus,821180.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus pseudocerasus'],8,1,8.5 160,4175,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HMUJXQRRKBLVOO-CQSZACIVSA-N,"InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m1/s1",COc1ccc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1,C16H14O5,pos_1_1proton1dmso,286.084123548,HMUJXQRRKBLVOO,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 161,4175,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HMUJXQRRKBLVOO-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1,C16H14O5,pos_1_1proton1dmso,286.084123548,HMUJXQRRKBLVOO,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,1,8.5 162,4175,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HMUJXQRRKBLVOO-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1,C16H14O5,pos_1_1proton1dmso,286.084123548,HMUJXQRRKBLVOO,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,1,8.5 163,4175,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HMUJXQRRKBLVOO-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1,C16H14O5,pos_1_1proton1dmso,286.084123548,HMUJXQRRKBLVOO,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,1,8.5 164,4175,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DJOJDHGQRNZXQQ-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3",COc1cc(O)c2c(c1)OC(c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,1,8.5 165,4174,-1,,,,0.0,MS1_match,ZHBHZDMTVVJASV-JOSVURMMSA-N,"InChI=1S/C17H22N2O7/c18-10(17(24)25)5-8-6-19(11-4-2-1-3-9(8)11)16-15(23)14(22)13(21)12(7-20)26-16/h1-4,6,10,12-16,20-23H,5,7,18H2,(H,24,25)/t10-,12+,13+,14-,15+,16+/m0/s1",N[C@@H](Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12)C(=O)O,C17H22N2O7,pos_2_1calcium,366.142701044,ZHBHZDMTVVJASV,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 166,4172,411,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ZHBHZDMTVVJASV-JOSVURMMSA-N,"InChI=1S/C17H22N2O7/c18-10(17(24)25)5-8-6-19(11-4-2-1-3-9(8)11)16-15(23)14(22)13(21)12(7-20)26-16/h1-4,6,10,12-16,20-23H,5,7,18H2,(H,24,25)/t10-,12+,13+,14-,15+,16+/m0/s1",N[C@@H](Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12)C(=O)O,C17H22N2O7,pos_2_1calcium,366.142701044,ZHBHZDMTVVJASV,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 167,4171,411,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ZHBHZDMTVVJASV-JOSVURMMSA-N,"InChI=1S/C17H22N2O7/c18-10(17(24)25)5-8-6-19(11-4-2-1-3-9(8)11)16-15(23)14(22)13(21)12(7-20)26-16/h1-4,6,10,12-16,20-23H,5,7,18H2,(H,24,25)/t10-,12+,13+,14-,15+,16+/m0/s1",N[C@@H](Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12)C(=O)O,C17H22N2O7,pos_2_1calcium,366.142701044,ZHBHZDMTVVJASV,Amino acids and Peptides,Small peptides,Aminoacids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 168,4167,125,Shikimates and Phenylpropanoids,Sesquiterpenoids,Disaccharides,0.0,MS1_match,HOVAGTYPODGVJG-XUUWZHRGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1sodium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,3,7.5 169,4167,125,Shikimates and Phenylpropanoids,Sesquiterpenoids,Disaccharides,0.0,MS1_match,HOVAGTYPODGVJG-XUUWZHRGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1sodium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa hybrida,3905012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa hybrid cultivar'],6,3,7.5 170,4167,125,Shikimates and Phenylpropanoids,Sesquiterpenoids,Disaccharides,0.0,MS1_match,HOVAGTYPODGVJG-ZYNSJIGGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m0/s1",CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C7H14O6,pos_1_1sodium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa polliniana,3905012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa hybrid cultivar'],6,3,7.5 171,4150,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,WLAMNBDJUVNPJU-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)",CCC(C)C(=O)O,C5H10O2,pos_1_1proton1acetonitrile,102.06807956,WLAMNBDJUVNPJU,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 172,4150,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,WLAMNBDJUVNPJU-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)",CCC(C)C(=O)O,C5H10O2,pos_1_1proton1acetonitrile,102.06807956,WLAMNBDJUVNPJU,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 173,4150,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,GWYFCOCPABKNJV-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",CC(C)CC(=O)O,C5H10O2,pos_1_1proton1acetonitrile,102.06807956,GWYFCOCPABKNJV,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 174,4150,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,GWYFCOCPABKNJV-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",CC(C)CC(=O)O,C5H10O2,pos_1_1proton1acetonitrile,102.06807956,GWYFCOCPABKNJV,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 175,4150,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,WLAMNBDJUVNPJU-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)",CCC(C)C(=O)O,C5H10O2,pos_1_1proton1acetonitrile,102.06807956,WLAMNBDJUVNPJU,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 176,4150,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,GWYFCOCPABKNJV-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",CC(C)CC(=O)O,C5H10O2,pos_1_1proton1acetonitrile,102.06807956,GWYFCOCPABKNJV,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 177,4150,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,WQEPLUUGTLDZJY-UHFFFAOYSA-N,"InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)",CCCCCCCCCCCCCCC(=O)O,C15H30O2,pos_2_2sodium,242.2245802,WQEPLUUGTLDZJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 178,4150,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,GWYFCOCPABKNJV-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",CC(C)CC(=O)O,C5H10O2,pos_1_1proton1acetonitrile,102.06807956,GWYFCOCPABKNJV,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 179,4141,213,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,IZEUIYYDWBKERE-ZRODXFKISA-N,"InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C31H50O2,pos_2_1iron,454.3810808399999,IZEUIYYDWBKERE,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 180,4141,213,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,IZEUIYYDWBKERE-ZRODXFKISA-N,"InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C31H50O2,pos_2_1iron,454.3810808399999,IZEUIYYDWBKERE,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 181,4140,173,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.30712724,ISDB,GJPPHJZNFDHUDL-BBBLOLIVSA-N,"InChI=1S/C10H19NO2/c12-7-8-9-3-1-2-5-11(9)6-4-10(8)13/h8-10,12-13H,1-7H2/t8-,9-,10+/m1/s1",OC[C@@H]1[C@H]2CCCCN2CC[C@@H]1O,C10H19NO2,,185.141578848,GJPPHJZNFDHUDL,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Poecilanthe itapuana,273749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Brongniartieae'],['Poecilanthe'],['Poecilanthe itapuana'],0,3,2.728508949279785 182,4140,173,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.30712724,ISDB,GJPPHJZNFDHUDL-BBBLOLIVSA-N,"InChI=1S/C10H19NO2/c12-7-8-9-3-1-2-5-11(9)6-4-10(8)13/h8-10,12-13H,1-7H2/t8-,9-,10+/m1/s1",OC[C@@H]1[C@H]2CCCCN2CC[C@@H]1O,C10H19NO2,,185.141578848,GJPPHJZNFDHUDL,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Limadendron amazonicum,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,3,2.728508949279785 183,4140,173,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.30712724,ISDB,GJPPHJZNFDHUDL-BBBLOLIVSA-N,"InChI=1S/C10H19NO2/c12-7-8-9-3-1-2-5-11(9)6-4-10(8)13/h8-10,12-13H,1-7H2/t8-,9-,10+/m1/s1",OC[C@@H]1[C@H]2CCCCN2CC[C@@H]1O,C10H19NO2,,185.141578848,GJPPHJZNFDHUDL,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Limadendron hostmannii,3928227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Brongniartieae'],['Poecilanthe'],['Poecilanthe hostmannii'],0,3,2.728508949279785 184,4140,173,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.30712724,ISDB,GJPPHJZNFDHUDL-BBBLOLIVSA-N,"InChI=1S/C10H19NO2/c12-7-8-9-3-1-2-5-11(9)6-4-10(8)13/h8-10,12-13H,1-7H2/t8-,9-,10+/m1/s1",OC[C@@H]1[C@H]2CCCCN2CC[C@@H]1O,C10H19NO2,,185.141578848,GJPPHJZNFDHUDL,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Poecilanthe falcata,931940.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Brongniartieae'],['Poecilanthe'],['Poecilanthe falcata'],0,3,2.728508949279785 185,4139,400,Fatty acids,Fatty esters,Wax monoesters,0.33837235,ISDB,MOBABZAVADBVLY-CMWXKVOJSA-N,"InChI=1S/C11H20O3/c1-9(7-8-12)5-4-6-10(2)11(13)14-3/h6,9,12H,4-5,7-8H2,1-3H3/b10-6+/t9-/m0/s1",COC(=O)/C(C)=C/CC[C@H](C)CCO,C11H20O3,,200.1412445,MOBABZAVADBVLY,Fatty acids,Fatty esters,Wax monoesters,Hoffmannia strigillosa,3881053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Hamelieae'],['Hoffmannia'],['Hoffmannia strigillosa'],0,3,2.853489398956299 186,4121,2,Fatty acids,Fatty amides,Fatty aldehydes,0.8063179,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,2,8.225271701812744 187,4119,126,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.46161905,ISDB,ZTTWSILEGFVQPN-CQALACEOSA-N,"InChI=1S/C31H48O/c1-19(2)31-16-11-20(3)21(4)27(31)24-9-10-26-28(6)14-13-25(32)22(5)23(28)12-15-30(26,8)29(24,7)17-18-31/h9,20-21,23,25-27,32H,1,5,10-18H2,2-4,6-8H3/t20-,21+,23+,25+,26-,27+,28+,29-,30-,31-/m1/s1",C=C1[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=C)C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C31H48O,,436.370516156,ZTTWSILEGFVQPN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Alstonia scholaris,749453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Alstonieae'],['Alstonia'],['Alstonia scholaris'],4,3,7.346476197242737 188,4118,793,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VADSVXSGIFBZLI-UHFFFAOYSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3",C=CCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1,C16H22O7,pos_1_1proton1ammonium,326.1365530439999,VADSVXSGIFBZLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 189,4117,402,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.49801472,ISDB,VZZQQZMZDJETCS-GUKRZAEASA-N,"InChI=1S/C20H20O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-4,6-9,11-13,21-22,24H,5,10H2,1H3/b9-4+,17-13-",COc1cc(CCC(=O)/C=C(O)/C=C/c2ccc(O)cc2)ccc1O,C20H20O5,,340.13107374,VZZQQZMZDJETCS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Aframomum letestuanum,791472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Aframomum'],['Aframomum letestuanum'],4,3,7.492058873176575 190,4115,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.29783544,ISDB,BMQNSHDVIYZULR-FZJJXLMSSA-N,"InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-26,36,41H,27-29H2,1-10H3/b12-11+,18-13-,19-14-,25-23+,26-24+,30-16+,31-17+,32-20-,33-21-",CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)/C=C/C2=C(C)CC(O)CC2(C)C)C(C)(C)CC=C1,C40H54O,,550.417466348,BMQNSHDVIYZULR,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],4,3,6.691341757774353 191,4114,731,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1proton1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 192,4114,731,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,DTOSIQBPPRVQHS-UHFFFAOYSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)",CCC=CCC=CCC=CCCCCCCCC(=O)O,C18H30O2,pos_1_1proton1ammonium,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 193,4114,731,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_1proton1ammonium,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 194,4114,731,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1proton1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 195,4113,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.4458389,ISDB,WTEVQBCEXWBHNA-YFHOEESVSA-N,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-",CC(C)=CCC/C(C)=C\C=O,C10H16O,,152.120115132,WTEVQBCEXWBHNA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,11.283355593681335 196,4106,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,PCMORTLOPMLEFB-ONEGZZNKSA-N,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+",COc1cc(/C=C/C(=O)O)cc(OC)c1O,C11H12O5,pos_2MHCH3CN,224.068473484,PCMORTLOPMLEFB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 197,4101,-1,,,,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 198,4101,-1,,,,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 199,4101,-1,,,,0.0,MS1_match,PUXKQFMZRYJBBE-ZJBBONHWSA-N,"InChI=1S/C27H30O14/c1-9(28)23-20(34)22(36)27(40-23)41-25-18(32)16-14(30)7-13(38-26-21(35)19(33)17(31)10(2)37-26)8-15(16)39-24(25)11-3-5-12(29)6-4-11/h3-10,17,19-23,26-31,33-36H,1-2H3/t9-,10+,17+,19-,20+,21-,22-,23-,26+,27+/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)c3c2=O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,PUXKQFMZRYJBBE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 200,4099,-1,,,,0.0,MS1_match,ZOJSSXJDOHFOTI-HOCLYGCPSA-N,"InChI=1S/C16H26O3/c1-12(2)6-5-11-16(3,18)14-9-7-13(8-10-14)15(17)19-4/h6-7,14,18H,5,8-11H2,1-4H3/t14-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)CCC=C(C)C)CC1,C16H26O3,pos_1_1proton1ammonium,266.188194692,ZOJSSXJDOHFOTI,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 201,4098,290,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.22897105,ISDB,VBYGVAYPZKNUEG-ZHOVTUGESA-N,"InChI=1S/C30H44O3/c1-18-7-8-21(33-25(18)32)19(2)20-11-13-28(6)23-10-9-22-26(3,4)24(31)12-14-29(22)17-30(23,29)16-15-27(20,28)5/h7,19-23H,8-17H2,1-6H3/t19-,20+,21+,22-,23-,27+,28-,29+,30-/m0/s1",CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)OC1=O,C30H44O3,,452.329045268,VBYGVAYPZKNUEG,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Kadsura philippinensis,5689596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Kadsura'],['Kadsura philippinensis'],4,3,6.41588419675827 202,4095,-1,,,,0.0,MS1_match,CJGRGYBLAHPYOM-LNVOCJLCSA-N,"InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6-/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C\c1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O7,pos_1_1sodium,310.105252916,CJGRGYBLAHPYOM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea thunbergii,882955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea thunbergii'],6,0,6.0 203,4095,-1,,,,0.0,MS1_match,CJGRGYBLAHPYOM-LNVOCJLCSA-N,"InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6-/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C\c1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O7,pos_1_1sodium,310.105252916,CJGRGYBLAHPYOM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea thunbergii,882955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea thunbergii'],6,0,6.0 204,4095,-1,,,,0.0,MS1_match,FMMQFGNJOTXLGF-QMIVOQANSA-N,"InChI=1S/C15H18O7/c16-7-11-12(19)13(20)14(21)15(22-11)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11-17,19-21H,7H2/t11-,12-,13+,14-,15+/m1/s1",O=C(C=Cc1ccc(O)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O7,pos_1_1sodium,310.105252916,FMMQFGNJOTXLGF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 205,4095,-1,,,,0.0,MS1_match,FMMQFGNJOTXLGF-QMIVOQANSA-N,"InChI=1S/C15H18O7/c16-7-11-12(19)13(20)14(21)15(22-11)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11-17,19-21H,7H2/t11-,12-,13+,14-,15+/m1/s1",O=C(C=Cc1ccc(O)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O7,pos_1_1sodium,310.105252916,FMMQFGNJOTXLGF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 206,4095,-1,,,,0.0,MS1_match,CFFMLEQRNNOHLH-HOLMNUNMSA-N,"InChI=1S/C15H18O7/c16-11(7-6-9-4-2-1-3-5-9)21-8-10-12(17)13(18)14(19)15(20)22-10/h1-7,10,12-15,17-20H,8H2/b7-6+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccccc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O7,pos_1_1sodium,310.105252916,CFFMLEQRNNOHLH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea canescens,832446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea canescens'],6,0,6.0 207,4093,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,VKNUORWMCINMRB-UHFFFAOYSA-N,"InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3",CCOC(=O)CC(O)C(=O)OCC,C8H14O5,pos_2MHNH3,190.084123548,VKNUORWMCINMRB,Fatty acids,Fatty esters,Wax monoesters,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 208,4091,650,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,JAELLLITIZHOGQ-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-5-6(8)9-7(2,3)4/h5H2,1-4H3",CCC(=O)OC(C)(C)C,C7H14O2,pos_2MHCH3CN,130.099379688,JAELLLITIZHOGQ,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 209,4091,650,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,HUAZGNHGCJGYNP-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3",CCCOC(=O)CCC,C7H14O2,pos_2MHCH3CN,130.099379688,HUAZGNHGCJGYNP,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 210,4091,650,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,PGMYKACGEOXYJE-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3",CCCCCOC(C)=O,C7H14O2,pos_2MHCH3CN,130.099379688,PGMYKACGEOXYJE,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 211,4091,650,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,NPFVOOAXDOBMCE-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3",CCC=CCCOC(C)=O,C8H14O2,pos_2MHNH3,142.099379688,NPFVOOAXDOBMCE,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 212,4090,64,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton1ethylamine,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 213,4090,64,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton1ethylamine,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 214,4089,42,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.2086589,ISDB,SLLRESDHUAXTNB-UHFFFAOYSA-N,"InChI=1S/C9H12O6S/c1-4-5(10)6(11)8(15-2)7(12)9(4)16(3,13)14/h10-12H,1-3H3",COc1c(O)c(O)c(C)c(S(C)(=O)=O)c1O,C9H12O6S,,248.035459104,SLLRESDHUAXTNB,Polyketides,,,Aspergillus udagawae,5310655.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus udagawae'],1,0,1.834635615348816 215,4089,42,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.2086589,ISDB,SLLRESDHUAXTNB-UHFFFAOYSA-N,"InChI=1S/C9H12O6S/c1-4-5(10)6(11)8(15-2)7(12)9(4)16(3,13)14/h10-12H,1-3H3",COc1c(O)c(O)c(C)c(S(C)(=O)=O)c1O,C9H12O6S,,248.035459104,SLLRESDHUAXTNB,Polyketides,,,Neosartorya udagawae,512831.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Neosartorya'],['Neosartorya udagawae'],1,0,1.834635615348816 216,4085,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,HRUPKKAITRRGMV-GLEFEWGCSA-N,"InChI=1S/C21H16O13/c1-5(22)31-10-4-30-21(16(27)14(10)25)32-9-3-7-12-11-6(19(28)34-18(12)15(9)26)2-8(23)13(24)17(11)33-20(7)29/h2-3,10,14,16,21,23-27H,4H2,1H3/t10-,14-,16+,21-/m0/s1",CC(=O)O[C@H]1CO[C@@H](Oc2cc3c(=O)oc4c(O)c(O)cc5c(=O)oc(c2O)c3c45)[C@H](O)[C@H]1O,C21H16O13,pos_1_1proton1ammonium,476.059090572,HRUPKKAITRRGMV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus idaeus,156929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus idaeus'],6,3,7.5 217,4082,-1,,,,0.32046232,ISDB,LCHMSLHVXVQJDG-UHFFFAOYSA-N,"InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-37(6)27(32(26)39)13-14-30-36(5)22-28(33(42)35(3,4)29(36)17-18-38(30,37)7)45-31(41)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40,42H,1,13-14,16-22H2,2-7H3,(H,43,44)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CC(OC(=O)C=Cc6ccc(O)cc6)C(O)C(C)(C)C5CCC43C)C12,C39H54O6,,618.392039448,LCHMSLHVXVQJDG,Terpenoids,Triterpenoids,Lupane triterpenoids,Ziziphus mauritiana,556043.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus mauritiana'],5,0,6.281849265098572 218,4082,-1,,,,0.32046232,ISDB,LCHMSLHVXVQJDG-GTPDHZIWSA-N,"InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-37(6)27(32(26)39)13-14-30-36(5)22-28(33(42)35(3,4)29(36)17-18-38(30,37)7)45-31(41)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40,42H,1,13-14,16-22H2,2-7H3,(H,43,44)/b15-10+/t26-,27+,28+,29-,30+,32-,33-,36+,37+,38+,39-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)C[C@@H](OC(=O)/C=C/c6ccc(O)cc6)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C39H54O6,,618.392039448,LCHMSLHVXVQJDG,Terpenoids,Triterpenoids,Lupane triterpenoids,Ziziphus cambodiana,5519351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus cambodianus'],5,0,6.281849265098572 219,4081,332,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1sodium1acetonitrile,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 220,4078,2,Fatty acids,Fatty amides,Fatty aldehydes,0.33297023,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,2,6.3318809270858765 221,4078,2,Fatty acids,Fatty amides,Fatty aldehydes,0.33297023,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,2,6.3318809270858765 222,4078,2,Fatty acids,Fatty amides,Fatty aldehydes,0.33297023,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,2,6.3318809270858765 223,4078,2,Fatty acids,Fatty amides,Fatty aldehydes,0.33297023,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,2,6.3318809270858765 224,4078,2,Fatty acids,Fatty amides,Fatty aldehydes,0.33297023,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper guineense,233005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper guineense'],4,2,6.3318809270858765 225,4078,2,Fatty acids,Fatty amides,Fatty aldehydes,0.33297023,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],4,2,6.3318809270858765 226,4074,92,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1sodium,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 227,4074,92,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1sodium,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 228,4071,597,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",0.22819509,ISDB,IAEFJGPZEPGPGJ-HMHVFHPLSA-N,"InChI=1S/C40H52O/c1-32(19-12-21-34(3)22-13-23-35(4)24-15-26-37(6)31-41)17-10-11-18-33(2)20-14-25-36(5)28-29-39-38(7)27-16-30-40(39,8)9/h10-15,17-26,28-29,31H,16,27,30H2,1-9H3/b11-10+,19-12+,20-14+,22-13+,24-15+,29-28+,32-17+,33-18+,34-21+,35-23+,36-25+,37-26+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)CCC1,C40H52O,,548.401816284,IAEFJGPZEPGPGJ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Cystofilobasidium infirmominiatum,80030.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Tremellomycetes'],['Cystofilobasidiales'],['Cystofilobasidiaceae'],['Unknown'],['Cystofilobasidium'],['Cystofilobasidium infirmominiatum'],1,3,3.4127803444862366 229,4070,646,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,BEEJZTKKIGKODU-NQLGLYBNSA-N,"InChI=1S/C54H88O25/c1-21-29(58)32(61)38(67)46(73-21)78-40-34(63)31(60)25(18-56)75-47(40)79-41-36(65)35(64)39(44(70)71)77-48(41)76-28-11-12-51(4)26(52(28,5)19-57)10-13-54(7)27(51)9-8-22-23-16-49(2,42(68)43(69)50(23,3)14-15-53(22,54)6)20-72-45-37(66)33(62)30(59)24(17-55)74-45/h8,21,23-43,45-48,55-69H,9-20H2,1-7H3,(H,70,71)/t21-,23-,24+,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36-,37+,38+,39-,40+,41+,42-,43+,45+,46-,47-,48+,49-,50+,51-,52+,53+,54+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5CC=C5[C@@H]7C[C@@](C)(CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@@H](O)[C@]7(C)CC[C@]56C)[C@@]4(C)CO)O[C@H](C(=O)O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C54H88O25,pos_2_1proton1potassium,1136.5614683160002,BEEJZTKKIGKODU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,3,7.5 230,4070,646,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,BEEJZTKKIGKODU-NQLGLYBNSA-N,"InChI=1S/C54H88O25/c1-21-29(58)32(61)38(67)46(73-21)78-40-34(63)31(60)25(18-56)75-47(40)79-41-36(65)35(64)39(44(70)71)77-48(41)76-28-11-12-51(4)26(52(28,5)19-57)10-13-54(7)27(51)9-8-22-23-16-49(2,42(68)43(69)50(23,3)14-15-53(22,54)6)20-72-45-37(66)33(62)30(59)24(17-55)74-45/h8,21,23-43,45-48,55-69H,9-20H2,1-7H3,(H,70,71)/t21-,23-,24+,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36-,37+,38+,39-,40+,41+,42-,43+,45+,46-,47-,48+,49-,50+,51-,52+,53+,54+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5CC=C5[C@@H]7C[C@@](C)(CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@@H](O)[C@]7(C)CC[C@]56C)[C@@]4(C)CO)O[C@H](C(=O)O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C54H88O25,pos_2_1proton1potassium,1136.5614683160002,BEEJZTKKIGKODU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,3,7.5 231,4069,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HOVAGTYPODGVJG-ZYNSJIGGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m0/s1",CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C7H14O6,pos_1_1proton,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa polliniana,3905012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa hybrid cultivar'],6,3,7.5 232,4069,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HOVAGTYPODGVJG-XUUWZHRGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1proton,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,3,7.5 233,4069,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HOVAGTYPODGVJG-XUUWZHRGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1proton,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa hybrida,3905012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa hybrid cultivar'],6,3,7.5 234,4068,-1,,,,0.0,MS1_match,DQVGVYRSVYCJRR-AXRVZGOCSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56-57H,1,14-25,27H2,2-12H3/b34-26+,42-28?,43-29?,44-28?,45-30?,46-29?,47-30?,52-50?/t32-,33-,37+,41+,51-/m1/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C,C55H74N4O5,pos_1_1proton,870.565921468,DQVGVYRSVYCJRR,Alkaloids,,,Fragaria vesca,852873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria vesca'],7,0,7.0 235,4068,-1,,,,0.0,MS1_match,REFBLEJUPUPWLM-UHFFFAOYSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,59,61H,1,14-25,27H2,2-12H3",C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)C(C(=O)OC)C=4C3=NC(=C2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(CC)=C1C,C55H74N4O5,pos_1_1proton,870.565921468,REFBLEJUPUPWLM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Fragaria vesca,852873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria vesca'],7,0,7.0 236,4065,597,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",0.22819509,ISDB,IAEFJGPZEPGPGJ-HMHVFHPLSA-N,"InChI=1S/C40H52O/c1-32(19-12-21-34(3)22-13-23-35(4)24-15-26-37(6)31-41)17-10-11-18-33(2)20-14-25-36(5)28-29-39-38(7)27-16-30-40(39,8)9/h10-15,17-26,28-29,31H,16,27,30H2,1-9H3/b11-10+,19-12+,20-14+,22-13+,24-15+,29-28+,32-17+,33-18+,34-21+,35-23+,36-25+,37-26+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)CCC1,C40H52O,,548.401816284,IAEFJGPZEPGPGJ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Cystofilobasidium infirmominiatum,80030.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Tremellomycetes'],['Cystofilobasidiales'],['Cystofilobasidiaceae'],['Unknown'],['Cystofilobasidium'],['Cystofilobasidium infirmominiatum'],1,3,3.4127803444862366 237,4060,124,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.3712171,ISDB,HBZNVZIRJWODIB-NHCUFCNUSA-N,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN,C39H74NO8P,,715.515204958,HBZNVZIRJWODIB,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,6.984868407249451 238,4060,124,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.3712171,ISDB,HBZNVZIRJWODIB-NHCUFCNUSA-N,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN,C39H74NO8P,,715.515204958,HBZNVZIRJWODIB,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Lycoris incarnata,992964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Lycoris'],['Lycoris incarnata'],4,3,6.984868407249451 239,4059,-1,,,,0.0,MS1_match,JQVNCYNADFKYNN-LKODNMENSA-N,"InChI=1S/C25H36O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,22,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,24+,25-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(/C)CO,C25H36O3,pos_2MMg,384.266445012,JQVNCYNADFKYNN,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 240,4059,-1,,,,0.0,MS1_match,JQVNCYNADFKYNN-LKODNMENSA-N,"InChI=1S/C25H36O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,22,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,24+,25-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(/C)CO,C25H36O3,pos_2MMg,384.266445012,JQVNCYNADFKYNN,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 241,4059,-1,,,,0.0,MS1_match,MLVPRCYREVPVES-LJUDBAABSA-N,"InChI=1S/C25H36O3/c1-18(10-7-8-11-19(2)17-26)12-9-13-20(3)22-14-23-24(4,5)15-21(27)16-25(23,6)28-22/h7-14,21-22,26-27H,15-17H2,1-6H3/b8-7+,12-9+,18-10+,19-11+,20-13-/t21-,22?,25?/m0/s1",C/C(=C/C=C/C(C)=C/C=C/C=C(\C)CO)C1C=C2C(C)(C)C[C@H](O)CC2(C)O1,C25H36O3,pos_2MMg,384.266445012,MLVPRCYREVPVES,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 242,4054,176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.24753217,ISDB,PNEKVLUOGHZVKV-YRRKUQMFSA-N,"InChI=1S/C26H28O14/c1-9(28)22-19(33)21(35)26(39-22)40-24-18(32)16-13(30)6-11(29)7-14(16)37-23(24)10-2-4-12(5-3-10)36-25-20(34)17(31)15(8-27)38-25/h2-7,9,15,17,19-22,25-31,33-35H,8H2,1H3/t9-,15-,17-,19-,20+,21+,22-,25+,26-/m0/s1",C[C@H](O)[C@@H]1O[C@@H](Oc2c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1O,C26H28O14,,564.147905576,PNEKVLUOGHZVKV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,10.490128695964813 243,4051,-1,,,,0.0,MS1_match,GLDOVTGHNKAZLK-UHFFFAOYSA-N,"InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3",CCCCCCCCCCCCCCCCCCO,C18H38O,pos_1_1proton1acetonitrile,270.292265836,GLDOVTGHNKAZLK,Fatty acids,Fatty acyls,Fatty alcohols,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 244,4050,80,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,CBFCDTFDPHXCNY-UHFFFAOYSA-N,"InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3",CCCCCCCCCCCCCCCCCCCC,C20H42,pos_1_minus1proton2sodium,282.328651344,CBFCDTFDPHXCNY,Fatty acids,Fatty acyls,Hydrocarbons,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],6,3,7.5 245,4050,80,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,CBFCDTFDPHXCNY-UHFFFAOYSA-N,"InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3",CCCCCCCCCCCCCCCCCCCC,C20H42,pos_1_minus1proton2sodium,282.328651344,CBFCDTFDPHXCNY,Fatty acids,Fatty acyls,Hydrocarbons,Rosa centifolia,383285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa roxburghii'],6,3,7.5 246,4050,80,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,CBFCDTFDPHXCNY-UHFFFAOYSA-N,"InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3",CCCCCCCCCCCCCCCCCCCC,C20H42,pos_1_minus1proton2sodium,282.328651344,CBFCDTFDPHXCNY,Fatty acids,Fatty acyls,Hydrocarbons,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 247,4049,521,Shikimates and Phenylpropanoids,Sesquiterpenoids,Isocoumarins,0.5402468,ISDB,WDGGYGTUDYNFNV-HZGVNTEJSA-N,"InChI=1S/C13H18O3/c1-6-9(4)16-5-10-11(6)7(2)12(14)8(3)13(10)15/h6,9,14-15H,5H2,1-4H3/t6-,9-/m1/s1",Cc1c(O)c(C)c2c(c1O)CO[C@H](C)[C@H]2C,C13H18O3,,222.125594436,WDGGYGTUDYNFNV,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Penicillium,199764.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Unknown'],0,3,3.660987138748169 248,4048,761,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VADSVXSGIFBZLI-UHFFFAOYSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3",C=CCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1,C16H22O7,pos_1_1sodium,326.1365530439999,VADSVXSGIFBZLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 249,4047,891,,,,0.0,MS1_match,KOGAYLRKEMJALJ-UHFFFAOYSA-N,"InChI=1S/C27H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h9-10,17-18,20-23,28H,2-8,11-16,19,24H2,1H3",CCCCCCCCC=CCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H42O3,pos_1_minus1proton1iron,414.313395204,KOGAYLRKEMJALJ,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 250,4047,891,,,,0.0,MS1_match,KOGAYLRKEMJALJ-UHFFFAOYSA-N,"InChI=1S/C27H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h9-10,17-18,20-23,28H,2-8,11-16,19,24H2,1H3",CCCCCCCCC=CCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H42O3,pos_1_minus1proton1iron,414.313395204,KOGAYLRKEMJALJ,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 251,4045,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton1isopropanol,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 252,4044,514,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 253,4044,514,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 254,4044,514,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 255,4044,514,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 256,4044,514,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 257,4044,514,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 258,4043,410,,,,0.34227687,ISDB,,,,,,,ARZRXRPBBDNCIX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3691074848175049 259,4042,694,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,YBLJYSTXRAWBBH-WLDMJGECSA-N,"InChI=1S/C7H14O6/c1-7(12)6(11)5(10)4(9)3(2-8)13-7/h3-6,8-12H,2H2,1H3/t3-,4-,5+,6-,7?/m1/s1",CC1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1proton1ammonium,194.079038168,YBLJYSTXRAWBBH,Carbohydrates,Saccharides,Monosaccharides,Rubus ulmifolius,618036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ulmifolius'],6,3,7.5 260,4041,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,ZNJFBWYDHIGLCU-VHSXEESVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/t9-,10+/m0/s1",CCC=CC[C@H]1C(=O)CC[C@H]1CC(=O)O,C12H18O3,pos_1_1proton1ethylamine,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 261,4038,354,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,XOCBTSXQUYSHOW-LGDJLJBTSA-N,"InChI=1S/C26H42O8/c1-23(2)16-6-9-25-10-14(4-5-17(25)24(16,3)8-7-18(23)28)26(32,12-25)13-33-22-21(31)20(30)19(29)15(11-27)34-22/h14-17,19-22,27,29-32H,4-13H2,1-3H3/t14-,15-,16-,17+,19-,20+,21-,22-,24-,25+,26+/m1/s1",CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3,C26H42O8,pos_1_1proton1methanol,482.287968304,XOCBTSXQUYSHOW,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,3,7.5 262,4037,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.0,MS1_match,HGXLNDMZXNLGRH-QCMUFCANSA-N,"InChI=1S/C82H58O53/c83-27-1-17(2-28(84)47(27)95)72(113)131-67-65-41(127-81(122)69(67)133-74(115)19-5-31(87)49(97)32(88)6-19)15-123-76(117)24-14-40(56(104)60(108)46(24)43-21(78(119)129-65)9-35(91)51(99)57(43)105)126-64-26(12-38(94)54(102)62(64)110)80(121)135-82-70(134-75(116)20-7-33(89)50(98)34(90)8-20)68(132-73(114)18-3-29(85)48(96)30(86)4-18)66-42(128-82)16-124-77(118)23-13-39(125-63-25(71(111)112)11-37(93)53(101)61(63)109)55(103)59(107)45(23)44-22(79(120)130-66)10-36(92)52(100)58(44)106/h1-14,41-42,65-70,81-110,122H,15-16H2,(H,111,112)/t41-,42-,65-,66-,67+,68+,69-,70-,81-,82+/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)O[C@@H]2COC(=O)c3cc(Oc4c(C(=O)O[C@@H]5O[C@@H]6COC(=O)c7cc(Oc8c(C(=O)O)cc(O)c(O)c8O)c(O)c(O)c7-c7c(cc(O)c(O)c7O)C(=O)O[C@H]6[C@H](OC(=O)c6cc(O)c(O)c(O)c6)[C@H]5OC(=O)c5cc(O)c(O)c(O)c5)cc(O)c(O)c4O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C82H58O53,pos_2_2proton1ammonium,1890.184326716,HGXLNDMZXNLGRH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 263,4034,114,Polyketides,Cyclic polyketides,2-pyrone derivatives,0.22617571,ISDB,JUGNVZAVZDAHMJ-UPGMHYFXSA-N,"InChI=1S/C20H36O6/c1-2-3-4-5-6-7-14(21)8-15(22)9-16(23)10-17-11-18-12-19(25-17)13-20(24)26-18/h14-19,21-23H,2-13H2,1H3/t14-,15-,16-,17-,18-,19+/m1/s1",CCCCCCC[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H]1C[C@@H]2C[C@@H](CC(=O)O2)O1,C20H36O6,,372.251188872,JUGNVZAVZDAHMJ,Polyketides,Cyclic polyketides,2-pyrone derivatives,Polyrhachis lamellidens,507108.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Formicidae'],['Camponotini'],['Polyrhachis'],['Polyrhachis lamellidens'],1,3,3.404702842235565 264,4033,342,Alkaloids,Peptide alkaloids,Simple amide alkaloids,0.24984632,ISDB,OZRWOZAJBRXGLW-WYMLVPIESA-N,"InChI=1S/C16H31NOS/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)19-18/h12,14-15H,3-11,13,17H2,1-2H3/b14-12+",CC(C)CCCCCCCCCC/C=C/C(N)=S=O,C16H31NOS,,285.212635612,OZRWOZAJBRXGLW,,,,Streptomyces albus,393814.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces albus'],0,0,0.9993852972984314 265,4032,2,Fatty acids,Fatty amides,Fatty aldehydes,0.0,MS1_match,LTUMRKDLVGQMJU-UHFFFAOYSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3",CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)C,C18H30O,pos_1_1proton1ethylamine,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,3,7.5 266,4031,52,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCBSMEKEDOHEQI-QHQGJMPNSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 267,4031,52,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCBSMEKEDOHEQI-PBHOCJRSSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23+,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.37599546,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Kageneckia oblonga,616590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Kageneckia'],['Kageneckia oblonga'],7,3,8.5 268,4031,52,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCBSMEKEDOHEQI-QHQGJMPNSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 269,4031,52,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCBSMEKEDOHEQI-PBHOCJRSSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23+,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.37599546,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Kageneckia oblonga,616590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Kageneckia'],['Kageneckia oblonga'],7,3,8.5 270,4028,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,UPRXEFYRIACHQZ-OMMCCPJFSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5-/t10-/m0/s1",C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 271,4028,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,1,8.5 272,4028,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 273,4028,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ammonium,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 274,4028,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ammonium,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,1,8.5 275,4028,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ammonium,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,1,8.5 276,4028,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,1,8.5 277,4028,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 278,4019,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,JMQNCNOQIYLMHF-YKGOFEKOSA-N,"InChI=1S/C29H40O4/c1-16-7-8-18-11-13-27(4)19(23(18)17(16)2)9-10-21-26(3)15-20(30)24(31)29(6,25(32)33)22(26)12-14-28(21,27)5/h7-9,20-22,24,30-31H,10-15H2,1-6H3,(H,32,33)/t20-,21+,22-,24+,26-,27-,28-,29+/m1/s1",Cc1ccc2c(c1C)C1=CC[C@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C29H40O4,pos_2MMg,452.29265976,JMQNCNOQIYLMHF,Terpenoids,Triterpenoids,,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,1,6.5 279,4016,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.24094675,ISDB,DFNMSBYEEKBETA-MMVMYLSVSA-N,"InChI=1S/C40H54O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-21,23-26,37,41H,15,22,27-28H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+/t37-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@H](O)CC2(C)C)C(C)(C)CCC1,C40H54O2,,566.412380968,DFNMSBYEEKBETA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Adonis annua,804994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis annua'],4,3,6.463787019252777 280,4014,6,Amino acids and Peptides,Small peptides,Aminoacids,0.35723376,ISDB,RKMQRPYLPSKVNS-UHFFFAOYSA-N,"InChI=1S/C6H10O4/c1-10-6(9)3-2-5(8)4-7/h7H,2-4H2,1H3",COC(=O)CCC(=O)CO,C6H10O4,,146.0579088,RKMQRPYLPSKVNS,Fatty acids,Fatty Acids and Conjugates,,Drymaria cordata,182465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Polycarpaeae'],['Drymaria'],['Drymaria cordata'],4,0,5.4289350509643555 281,4014,6,Amino acids and Peptides,Small peptides,Aminoacids,0.35723376,ISDB,RKMQRPYLPSKVNS-UHFFFAOYSA-N,"InChI=1S/C6H10O4/c1-10-6(9)3-2-5(8)4-7/h7H,2-4H2,1H3",COC(=O)CCC(=O)CO,C6H10O4,,146.0579088,RKMQRPYLPSKVNS,Fatty acids,Fatty Acids and Conjugates,,Drymaria diandra,182465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Polycarpaeae'],['Drymaria'],['Drymaria cordata'],4,0,5.4289350509643555 282,4014,6,Amino acids and Peptides,Small peptides,Aminoacids,0.35723376,ISDB,RKMQRPYLPSKVNS-UHFFFAOYSA-N,"InChI=1S/C6H10O4/c1-10-6(9)3-2-5(8)4-7/h7H,2-4H2,1H3",COC(=O)CCC(=O)CO,C6H10O4,,146.0579088,RKMQRPYLPSKVNS,Fatty acids,Fatty Acids and Conjugates,,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],4,0,5.4289350509643555 283,4013,522,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.292223,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,10.66889202594757 284,4013,522,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.292223,ISDB,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,3,10.66889202594757 285,4013,522,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.292223,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,10.66889202594757 286,4013,522,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.292223,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,10.66889202594757 287,4013,522,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.292223,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,10.66889202594757 288,4013,522,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.292223,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,10.66889202594757 289,4013,522,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.292223,ISDB,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,10.66889202594757 290,4013,522,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.292223,ISDB,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,10.66889202594757 291,4013,522,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.292223,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,10.66889202594757 292,4013,522,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.292223,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,10.66889202594757 293,4012,2,Fatty acids,Fatty amides,Fatty aldehydes,0.8495415,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,2,8.398165941238403 294,4009,65,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,ACTKFDMFHYIKRY-UHFFFAOYSA-N,"InChI=1S/C12H18/c1-11-7-4-3-5-8-12(2)10-6-9-11/h3-4,7,10H,5-6,8-9H2,1-2H3",CC1=CC=CCCC(C)=CCC1,C12H18,pos_1_minus1proton1iron,162.140850576,ACTKFDMFHYIKRY,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Rubus rosifolius,714548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus rosifolius'],6,3,7.5 295,4008,236,,,,0.0,MS1_match,AUPMFUOQLMOLGB-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h17-18,20-23,28H,2-16,19,24H2,1H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H44O3,pos_1_minus1proton1iron,416.329045268,AUPMFUOQLMOLGB,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 296,4008,236,,,,0.0,MS1_match,AUPMFUOQLMOLGB-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h17-18,20-23,28H,2-16,19,24H2,1H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H44O3,pos_1_minus1proton1iron,416.329045268,AUPMFUOQLMOLGB,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 297,4006,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,ZOJSSXJDOHFOTI-HOCLYGCPSA-N,"InChI=1S/C16H26O3/c1-12(2)6-5-11-16(3,18)14-9-7-13(8-10-14)15(17)19-4/h6-7,14,18H,5,8-11H2,1-4H3/t14-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)CCC=C(C)C)CC1,C16H26O3,pos_1_1proton1ammonium,266.188194692,ZOJSSXJDOHFOTI,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,2,7.0 298,4003,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C=CCc1ccc(OC)c(OC)c1,C11H14O2,pos_1_1proton1isopropanol,178.099379688,ZYEMGPIYFIJGTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 299,4001,65,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,ACTKFDMFHYIKRY-UHFFFAOYSA-N,"InChI=1S/C12H18/c1-11-7-4-3-5-8-12(2)10-6-9-11/h3-4,7,10H,5-6,8-9H2,1-2H3",CC1=CC=CCCC(C)=CCC1,C12H18,pos_1_minus1proton1iron,162.140850576,ACTKFDMFHYIKRY,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Rubus rosifolius,714548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus rosifolius'],6,3,7.5 300,4000,-1,,,,0.0,MS1_match,YBLJYSTXRAWBBH-WLDMJGECSA-N,"InChI=1S/C7H14O6/c1-7(12)6(11)5(10)4(9)3(2-8)13-7/h3-6,8-12H,2H2,1H3/t3-,4-,5+,6-,7?/m1/s1",CC1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1proton1ammonium,194.079038168,YBLJYSTXRAWBBH,Carbohydrates,Saccharides,Monosaccharides,Rubus ulmifolius,618036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ulmifolius'],6,0,6.0 301,4000,-1,,,,0.0,MS1_match,HOVAGTYPODGVJG-XUUWZHRGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1proton1ammonium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 302,4000,-1,,,,0.0,MS1_match,HOVAGTYPODGVJG-XUUWZHRGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1proton1ammonium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa hybrida,3905012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa hybrid cultivar'],6,0,6.0 303,4000,-1,,,,0.0,MS1_match,HOVAGTYPODGVJG-ZYNSJIGGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m0/s1",CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C7H14O6,pos_1_1proton1ammonium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa polliniana,3905012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa hybrid cultivar'],6,0,6.0 304,3998,567,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 305,3998,567,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 306,3998,567,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,3,8.5 307,3998,567,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,3,8.5 308,3997,-1,,,,0.0,MS1_match,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 309,3997,-1,,,,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,0,8.0 310,3997,-1,,,,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,0,8.0 311,3997,-1,,,,0.0,MS1_match,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 312,3997,-1,,,,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,0,8.0 313,3997,-1,,,,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,0,8.0 314,3996,567,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 315,3996,567,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,3,8.5 316,3996,567,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,3,8.5 317,3996,567,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 318,3995,720,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.0,MS1_match,XKXZHTWOHXJEOL-GFNJAKOTSA-N,"InChI=1S/C26H42O9/c1-23-7-3-8-24(2,22(32)35-21-20(31)19(30)18(29)15(11-27)34-21)16(23)6-9-25-10-14(4-5-17(23)25)26(33,12-25)13-28/h14-21,27-31,33H,3-13H2,1-2H3/t14-,15-,16+,17+,18-,19+,20-,21+,23-,24-,25+,26-/m1/s1",C[C@@]12CCC[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3,C26H42O9,pos_1_1sodium,498.282882924,XKXZHTWOHXJEOL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,3,7.5 319,3994,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,ZCNREQTVGGXJTO-YEEDDRBPSA-N,"InChI=1S/C18H32O10/c1-3-4-5-6-7-25-17-16(24)14(22)12(20)10(28-17)8-26-18-15(23)13(21)11(19)9(2)27-18/h4-5,9-24H,3,6-8H2,1-2H3/t9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1",CCC=CCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H32O10,pos_1_1proton1ethylamine,408.199547224,ZCNREQTVGGXJTO,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 320,3992,-1,,,,0.0,MS1_match,KBRCLNZPIXOEQJ-ZIFCJYIRSA-N,"InChI=1S/C20H20O10/c1-28-20(27)17(8-18(25)26)29-16-7-11-13(23)5-10(21)6-15(11)30-19(16)9-2-3-12(22)14(24)4-9/h2-6,16-17,19,21-24H,7-8H2,1H3,(H,25,26)/t16-,17+,19-/m1/s1",COC(=O)[C@H](CC(=O)O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1,C20H20O10,pos_2_2sodium,420.10564684,KBRCLNZPIXOEQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,0,6.0 321,3991,197,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ammonium,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 322,3991,197,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ammonium,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,3,8.5 323,3991,197,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ammonium,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,3,8.5 324,3991,197,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ammonium,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 325,3987,-1,,,,0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 326,3987,-1,,,,0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_1_1proton1isopropanol,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 327,3986,205,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,ROWAKJPQESBVOT-BTIXHMCTSA-N,"InChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9-10,21-22,24,32H,11-19H2,1-8H3/t21-,22-,24-,28-,29+,30+,31-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC=C3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H48O3,pos_1_minus1proton1iron,468.3603453959999,ROWAKJPQESBVOT,Terpenoids,Triterpenoids,Oleanane triterpenoids,Polylepis australis,664137.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis australis'],6,3,7.5 328,3985,-1,,,,0.0,MS1_match,TUHVEAJXIMEOSA-UHFFFAOYSA-N,"InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)",N=C(N)NCCCC(=O)O,C5H11N3O2,pos_1_minus1proton1magnesium,145.085126592,TUHVEAJXIMEOSA,Amino acids and Peptides,Small peptides,Aminoacids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 329,3984,369,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,AOGQPLXWSUTHQB-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3",CCCCCCOC(C)=O,C8H16O2,pos_2MHCH3CN,144.115029752,AOGQPLXWSUTHQB,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 330,3981,929,Shikimates and Phenylpropanoids,Naphthalenes,Naphthalenes and derivatives,0.0,MS1_match,CBRMMSPVRYLGMR-UHFFFAOYSA-N,"InChI=1S/C14H14O4/c1-17-12-7-9(8-13(18-2)14(12)16)10-5-3-4-6-11(10)15/h3-8,15-16H,1-2H3",COc1cc(-c2ccccc2O)cc(OC)c1O,C14H14O4,pos_1_1proton,246.089208928,CBRMMSPVRYLGMR,Shikimates and Phenylpropanoids,,,Sorbus aucuparia,217673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aucuparia'],7,1,7.5 331,3980,589,Shikimates and Phenylpropanoids,Naphthalenes,Naphthoquinones,0.7281046,ISDB,DKHAQNNRAKURNG-UHFFFAOYSA-N,"InChI=1S/C12H10O2/c1-7-4-3-5-9-6-8(2)11(13)12(14)10(7)9/h3-6H,1-2H3",CC1=Cc2cccc(C)c2C(=O)C1=O,C12H10O2,,186.06807956,DKHAQNNRAKURNG,Polyketides,Naphthalenes,Naphthoquinones,Hibiscus cannabinus,393745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus cannabinus'],4,3,8.412418365478516 332,3979,720,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.0,MS1_match,XKXZHTWOHXJEOL-GFNJAKOTSA-N,"InChI=1S/C26H42O9/c1-23-7-3-8-24(2,22(32)35-21-20(31)19(30)18(29)15(11-27)34-21)16(23)6-9-25-10-14(4-5-17(23)25)26(33,12-25)13-28/h14-21,27-31,33H,3-13H2,1-2H3/t14-,15-,16+,17+,18-,19+,20-,21+,23-,24-,25+,26-/m1/s1",C[C@@]12CCC[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3,C26H42O9,pos_1_1sodium,498.282882924,XKXZHTWOHXJEOL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,3,7.5 333,3977,126,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.42264253,ISDB,ZTTWSILEGFVQPN-CQALACEOSA-N,"InChI=1S/C31H48O/c1-19(2)31-16-11-20(3)21(4)27(31)24-9-10-26-28(6)14-13-25(32)22(5)23(28)12-15-30(26,8)29(24,7)17-18-31/h9,20-21,23,25-27,32H,1,5,10-18H2,2-4,6-8H3/t20-,21+,23+,25+,26-,27+,28+,29-,30-,31-/m1/s1",C=C1[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=C)C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C31H48O,,436.370516156,ZTTWSILEGFVQPN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Alstonia scholaris,749453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Alstonieae'],['Alstonia'],['Alstonia scholaris'],4,3,7.190570116043091 334,3971,78,Alkaloids,Apocarotenoids,Megastigmanes,0.5959245,ISDB,IPDUMYRKLCXLQE-UHFFFAOYSA-N,"InChI=1S/C23H33NO4S/c1-19(2)7-6-8-20(3)14-17-28-22-11-9-21(10-12-22)13-16-24(4)23(25)15-18-29(5,26)27/h7,9-12,14-15,18H,6,8,13,16-17H2,1-5H3",CC(C)=CCCC(C)=CCOc1ccc(CCN(C)C(=O)C=CS(C)(=O)=O)cc1,C23H33NO4S,,419.213029536,IPDUMYRKLCXLQE,Alkaloids,,,Glycosmis trichanthera,755721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis trichanthera'],4,1,6.883697986602783 335,3971,78,Alkaloids,Apocarotenoids,Megastigmanes,0.5959245,ISDB,IPDUMYRKLCXLQE-UHFFFAOYSA-N,"InChI=1S/C23H33NO4S/c1-19(2)7-6-8-20(3)14-17-28-22-11-9-21(10-12-22)13-16-24(4)23(25)15-18-29(5,26)27/h7,9-12,14-15,18H,6,8,13,16-17H2,1-5H3",CC(C)=CCCC(C)=CCOc1ccc(CCN(C)C(=O)C=CS(C)(=O)=O)cc1,C23H33NO4S,,419.213029536,IPDUMYRKLCXLQE,Alkaloids,,,Glycosmis angustifolia,6125986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis angustifolia'],4,1,6.883697986602783 336,3969,37,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,PKWCARAECWHBCL-YMTXFHFDSA-N,"InChI=1S/C22H24O9/c1-28-12-7-15-18(13(24)9-14(29-15)11-5-3-2-4-6-11)16(8-12)30-22-21(27)20(26)19(25)17(10-23)31-22/h2-8,14,17,19-23,25-27H,9-10H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccccc1)CC2=O,C22H24O9,pos_1_1sodium,432.142032348,PKWCARAECWHBCL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 337,3968,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.676799,ISDB,IYXQRCXQQWUFQV-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)",O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)(C(=O)O)CC1O,C25H24O12,,516.1267762079999,IYXQRCXQQWUFQV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,12.20719599723816 338,3965,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ODHCTXKNWHHXJC-GSVOUGTGSA-N,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1",O=C1CC[C@H](C(=O)O)N1,C5H7NO3,pos_1_1proton,129.042593084,ODHCTXKNWHHXJC,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 339,3964,-1,,,,0.0,MS1_match,KBRCLNZPIXOEQJ-ZIFCJYIRSA-N,"InChI=1S/C20H20O10/c1-28-20(27)17(8-18(25)26)29-16-7-11-13(23)5-10(21)6-15(11)30-19(16)9-2-3-12(22)14(24)4-9/h2-6,16-17,19,21-24H,7-8H2,1H3,(H,25,26)/t16-,17+,19-/m1/s1",COC(=O)[C@H](CC(=O)O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1,C20H20O10,pos_2_2sodium,420.10564684,KBRCLNZPIXOEQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,0,6.0 340,3964,-1,,,,0.0,MS1_match,YBLJYSTXRAWBBH-WLDMJGECSA-N,"InChI=1S/C7H14O6/c1-7(12)6(11)5(10)4(9)3(2-8)13-7/h3-6,8-12H,2H2,1H3/t3-,4-,5+,6-,7?/m1/s1",CC1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1potassium,194.079038168,YBLJYSTXRAWBBH,Carbohydrates,Saccharides,Monosaccharides,Rubus ulmifolius,618036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ulmifolius'],6,0,6.0 341,3964,-1,,,,0.0,MS1_match,HOVAGTYPODGVJG-XUUWZHRGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1potassium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 342,3964,-1,,,,0.0,MS1_match,HOVAGTYPODGVJG-XUUWZHRGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1potassium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa hybrida,3905012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa hybrid cultivar'],6,0,6.0 343,3964,-1,,,,0.0,MS1_match,HOVAGTYPODGVJG-ZYNSJIGGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m0/s1",CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C7H14O6,pos_1_1potassium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa polliniana,3905012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa hybrid cultivar'],6,0,6.0 344,3962,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WQZGKKKJIJFFOK-GASJEMHNSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1",OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_1_1proton1ammonium,180.063388104,WQZGKKKJIJFFOK,Carbohydrates,Saccharides,Disaccharides,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,3,8.5 345,3962,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WQZGKKKJIJFFOK-GASJEMHNSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1",OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_1_1proton1ammonium,180.063388104,WQZGKKKJIJFFOK,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,3,8.5 346,3961,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.0,MS1_match,WSMYVTOQOOLQHP-UHFFFAOYSA-N,"InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2",O=CCC=O,C3H4O2,pos_2MH,72.021129368,WSMYVTOQOOLQHP,Fatty acids,Fatty acyls,Fatty aldehydes,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 347,3960,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,WHUUTDBJXJRKMK-VKHMYHEASA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",N[C@@H](CCC(=O)O)C(=O)O,C5H9NO4,pos_1_1proton,147.053157768,WHUUTDBJXJRKMK,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 348,3956,-1,,,,0.0,MS1_match,PNEKVLUOGHZVKV-YRRKUQMFSA-N,"InChI=1S/C26H28O14/c1-9(28)22-19(33)21(35)26(39-22)40-24-18(32)16-13(30)6-11(29)7-14(16)37-23(24)10-2-4-12(5-3-10)36-25-20(34)17(31)15(8-27)38-25/h2-7,9,15,17,19-22,25-31,33-35H,8H2,1H3/t9-,15-,17-,19-,20+,21+,22-,25+,26-/m0/s1",C[C@H](O)[C@@H]1O[C@@H](Oc2c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1O,C26H28O14,pos_1_1sodium,564.147905576,PNEKVLUOGHZVKV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 349,3955,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.24606752,ISDB,SHZGCJCMOBCMKK-HGVZOGFYSA-N,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1",C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O,C6H12O5,,164.068473484,SHZGCJCMOBCMKK,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.984270095825195 350,3953,-1,,,,0.0,MS1_match,LWBHKKLWSUFUNZ-UHFFFAOYSA-N,"InChI=1S/C17H16O6/c1-21-10-6-12(19)17-13(20)8-15(23-16(17)7-10)9-3-4-14(22-2)11(18)5-9/h3-7,15,18-19H,8H2,1-2H3",COc1cc(O)c2c(c1)OC(c1ccc(OC)c(O)c1)CC2=O,C17H16O6,pos_1_1sodium,316.09468823199995,LWBHKKLWSUFUNZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 351,3953,-1,,,,0.0,MS1_match,LWBHKKLWSUFUNZ-UHFFFAOYSA-N,"InChI=1S/C17H16O6/c1-21-10-6-12(19)17-13(20)8-15(23-16(17)7-10)9-3-4-14(22-2)11(18)5-9/h3-7,15,18-19H,8H2,1-2H3",COc1cc(O)c2c(c1)OC(c1ccc(OC)c(O)c1)CC2=O,C17H16O6,pos_1_1sodium,316.09468823199995,LWBHKKLWSUFUNZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 352,3951,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FKAOWOSRYSMEBS-ZDUSSCGKSA-N,"InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1",COc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,FKAOWOSRYSMEBS,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,1,7.5 353,3951,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,1,7.5 354,3946,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.40332636,ISDB,FELCJAPFJOPHSD-ROUWMTJPSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,FELCJAPFJOPHSD,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,11.113305449485779 355,3945,654,Shikimates and Phenylpropanoids,,,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1proton1ethylamine,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,1,6.5 356,3945,654,Shikimates and Phenylpropanoids,,,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1proton1ethylamine,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,1,6.5 357,3942,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.3070296,ISDB,RLGBUTVIBWFTRW-IIEYBPOLSA-N,"InChI=1S/C27H36O3/c1-24(2)20-11-13-27-12-10-18(26(4,30)16-27)14-21(27)25(20,3)15-19(23(24)29)22(28)17-8-6-5-7-9-17/h5-10,12,18-22,28,30H,11,13-16H2,1-4H3/t18-,19+,20+,21-,22+,25+,26-,27+/m0/s1",CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H36O3,,408.266445012,RLGBUTVIBWFTRW,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,1,5.728118419647217 358,3941,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.7363511,ISDB,LTUMRKDLVGQMJU-UHFFFAOYSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3",CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,8.945404291152954 359,3940,86,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_minus1proton1calcium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 360,3940,86,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_minus1proton1calcium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 361,3939,634,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,MGSRCZKZVOBKFT-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3",Cc1ccc(C(C)C)c(O)c1,C10H14O,pos_2MH,150.104465068,MGSRCZKZVOBKFT,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 362,3937,-1,,,,0.0,MS1_match,PHMKDBZGQWXPAZ-MZFJGDBOSA-N,"InChI=1S/C30H50O3/c1-19(2)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h20-25,31-33H,1,7-18H2,2-6H3/t20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O3,pos_1_1proton1ethylamine,458.37599546,PHMKDBZGQWXPAZ,Terpenoids,Triterpenoids,Lupane triterpenoids,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 363,3937,-1,,,,0.0,MS1_match,PHMKDBZGQWXPAZ-MZFJGDBOSA-N,"InChI=1S/C30H50O3/c1-19(2)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h20-25,31-33H,1,7-18H2,2-6H3/t20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O3,pos_1_1proton1ethylamine,458.37599546,PHMKDBZGQWXPAZ,Terpenoids,Triterpenoids,Lupane triterpenoids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 364,3937,-1,,,,0.0,MS1_match,PHMKDBZGQWXPAZ-MZFJGDBOSA-N,"InChI=1S/C30H50O3/c1-19(2)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h20-25,31-33H,1,7-18H2,2-6H3/t20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O3,pos_1_1proton1ethylamine,458.37599546,PHMKDBZGQWXPAZ,Terpenoids,Triterpenoids,Lupane triterpenoids,Sorbus decora,426112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus decora'],6,0,6.0 365,3937,-1,,,,0.0,MS1_match,QFXTWLGVOHRXRN-STADAPJBSA-N,"InChI=1S/C30H50O3/c1-19-9-14-30(18-32)16-15-28(5)21(25(30)20(19)2)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h7,19-20,22-25,31-33H,8-18H2,1-6H3/t19-,20+,22-,23-,24+,25+,26+,27+,28-,29-,30-/m1/s1",C[C@H]1[C@H](C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H50O3,pos_1_1proton1ethylamine,458.37599546,QFXTWLGVOHRXRN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sorbus decora,426112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus decora'],6,0,6.0 366,3936,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.4458389,ISDB,WTEVQBCEXWBHNA-YFHOEESVSA-N,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-",CC(C)=CCC/C(C)=C\C=O,C10H16O,,152.120115132,WTEVQBCEXWBHNA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,11.283355593681335 367,3935,218,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1proton1ammonium,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 368,3933,311,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1sodium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 369,3933,311,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1sodium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 370,3931,48,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1methanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 371,3930,44,Terpenoids,Monoterpenoids,Phenylethanoids,0.0,MS1_match,PQQITYGQJLPDFC-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O8,pos_1_1proton1ethylamine,316.1158176,PQQITYGQJLPDFC,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 372,3929,740,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,DCWOIJNXHXDCKT-UHFFFAOYSA-N,"InChI=1S/C25H33NO5/c1-14(22(28)17(4)27)9-8-12-19-23(29)16(3)15(2)21-20(26-24(30)25(19,21)31)13-18-10-6-5-7-11-18/h5-8,10-12,14,17,19-21,23,27,29,31H,9,13H2,1-4H3,(H,26,30)",CC1=C(C)C2C(Cc3ccccc3)NC(=O)C2(O)C(C=CCC(C)C(=O)C(C)O)C1O,C25H33NO5,pos_1_minus1proton1calcium,427.235873156,DCWOIJNXHXDCKT,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],6,3,7.5 373,3929,740,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,XKLGDBFKKUIZTH-UHFFFAOYSA-N,"InChI=1S/C25H33NO5/c1-14(22(28)17(4)27)9-8-12-19-23(29)16(3)15(2)21-20(26-24(30)25(19,21)31)13-18-10-6-5-7-11-18/h5-8,10-12,14-15,17,19-21,23,27,29,31H,3,9,13H2,1-2,4H3,(H,26,30)",C=C1C(C)C2C(Cc3ccccc3)NC(=O)C2(O)C(C=CCC(C)C(=O)C(C)O)C1O,C25H33NO5,pos_1_minus1proton1calcium,427.235873156,XKLGDBFKKUIZTH,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],6,3,7.5 374,3929,740,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,RQWVQCYJRCZFED-UHFFFAOYSA-N,"InChI=1S/C25H33NO5/c1-14(22(28)17(4)27)9-8-12-19-23(29)16(3)15(2)21-20(26-24(30)25(19,21)31)13-18-10-6-5-7-11-18/h5-8,10-12,14,19-23,28-29,31H,9,13H2,1-4H3,(H,26,30)",CC(=O)C(O)C(C)CC=CC1C(O)C(C)=C(C)C2C(Cc3ccccc3)NC(=O)C12O,C25H33NO5,pos_1_minus1proton1calcium,427.235873156,RQWVQCYJRCZFED,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],6,3,7.5 375,3923,95,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Phenylethanoids,0.0,MS1_match,PQQITYGQJLPDFC-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O8,pos_1_1proton1acetonitrile,316.1158176,PQQITYGQJLPDFC,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 376,3921,-1,,,,0.27631947,ISDB,,,,,,,DYPPICYABYUFLB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1052778959274292 377,3919,-1,,,,0.0,MS1_match,FBSFWRHWHYMIOG-UHFFFAOYSA-N,"InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3",COC(=O)c1cc(O)c(O)c(O)c1,C8H8O5,pos_1_1proton1methanol,184.037173356,FBSFWRHWHYMIOG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 378,3919,-1,,,,0.0,MS1_match,FBSFWRHWHYMIOG-UHFFFAOYSA-N,"InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3",COC(=O)c1cc(O)c(O)c(O)c1,C8H8O5,pos_1_1proton1methanol,184.037173356,FBSFWRHWHYMIOG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 379,3917,847,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JJNMLNFZFGSWQR-WJZQQGDTSA-N,"InChI=1S/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32-33(49-37(43)28-18-8-2-9-19-28)34(50-38(44)29-20-10-3-11-21-29)35(51-39(45)30-22-12-4-13-23-30)41(48-32)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33-,34+,35-,41+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1,C41H32O11,pos_3_1proton2sodium,700.1944618439999,JJNMLNFZFGSWQR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,3,7.5 380,3917,847,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JJNMLNFZFGSWQR-WJZQQGDTSA-N,"InChI=1S/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32-33(49-37(43)28-18-8-2-9-19-28)34(50-38(44)29-20-10-3-11-21-29)35(51-39(45)30-22-12-4-13-23-30)41(48-32)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33-,34+,35-,41+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1,C41H32O11,pos_3_1proton2sodium,700.1944618439999,JJNMLNFZFGSWQR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,3,7.5 381,3916,183,Terpenoids,Sesquiterpenoids,Picrotoxane sesquiterpenoids,0.0,MS1_match,IKTUZVAVHCTHSU-ULZPOIKGSA-N,"InChI=1S/C15H18O6/c1-5(2)6-7-12(16)20-8(6)9-13(3)14(17,4-19-9)10-11(21-10)15(7,13)18/h6-11,17-18H,1,4H2,2-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1",C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(O)CO[C@H]2[C@]13C,C15H18O6,pos_1_1sodium,294.11033829599995,IKTUZVAVHCTHSU,Terpenoids,Sesquiterpenoids,Picrotoxane sesquiterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 382,3915,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.8038978,ISDB,ZCCLDKGWJIREQF-PDBXOOCHSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,C21H36O4,,352.261359632,ZCCLDKGWJIREQF,Fatty acids,Glycerolipids,Monoacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,2,8.215591192245483 383,3912,392,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,XKEGHAKHUOTXSY-WCNGZGTQSA-N,"InChI=1S/C20H30O5/c1-17-5-3-6-19(10-25-16(17)23)12(17)9-14(21)20-7-4-11(8-13(19)20)18(2,24)15(20)22/h11-15,21-22,24H,3-10H2,1-2H3/t11-,12-,13+,14+,15-,17+,18+,19-,20+/m0/s1",C[C@@]1(O)[C@H]2CC[C@@]3([C@H](O)C[C@@H]4[C@@]5(CCC[C@@]4(C)C(=O)OC5)[C@H]3C2)[C@H]1O,C20H30O5,pos_1_minus1proton1magnesium,350.20932406,XKEGHAKHUOTXSY,Terpenoids,Diterpenoids,Atisane diterpenoids,Spiraea japonica,785024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea japonica'],6,1,6.5 384,3912,392,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,MCJLLFVJGZBDPV-ZLFWOPJISA-N,"InChI=1S/C38H58O13/c1-18-10-13-38(32(47)51-30-27(43)26(42)25(41)22(17-39)50-30)15-14-34(4)20(28(38)37(18,7)48)8-9-23-33(3)16-21(49-19(2)40)29(44)36(6,31(45)46)24(33)11-12-35(23,34)5/h8,18,21-30,39,41-44,48H,9-17H2,1-7H3,(H,45,46)/t18-,21-,22-,23-,24-,25-,26+,27-,28-,29+,30+,33+,34-,35-,36+,37-,38+/m1/s1",CC(=O)O[C@@H]1C[C@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@H]4[C@](C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)(CC[C@@H](C)[C@@]4(C)O)CC[C@]23C)[C@](C)(C(=O)O)[C@H]1O,C38H58O13,pos_2_1magnesium,722.387741916,MCJLLFVJGZBDPV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus cochinchinensis,538507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus cochinchinensis'],6,1,6.5 385,3907,720,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.0,MS1_match,XKXZHTWOHXJEOL-GFNJAKOTSA-N,"InChI=1S/C26H42O9/c1-23-7-3-8-24(2,22(32)35-21-20(31)19(30)18(29)15(11-27)34-21)16(23)6-9-25-10-14(4-5-17(23)25)26(33,12-25)13-28/h14-21,27-31,33H,3-13H2,1-2H3/t14-,15-,16+,17+,18-,19+,20-,21+,23-,24-,25+,26-/m1/s1",C[C@@]12CCC[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3,C26H42O9,pos_1_1sodium,498.282882924,XKXZHTWOHXJEOL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,3,7.5 386,3901,-1,,,,0.0,MS1_match,QJYNZEYHSMRWBK-NIKIMHBISA-N,"InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H32O26,pos_2_2proton,940.1181811440002,QJYNZEYHSMRWBK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 387,3901,-1,,,,0.0,MS1_match,QJYNZEYHSMRWBK-NIKIMHBISA-N,"InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H32O26,pos_2_2proton,940.1181811440002,QJYNZEYHSMRWBK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 388,3901,-1,,,,0.0,MS1_match,QJYNZEYHSMRWBK-NIKIMHBISA-N,"InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H32O26,pos_2_2proton,940.1181811440002,QJYNZEYHSMRWBK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 389,3901,-1,,,,0.0,MS1_match,QJYNZEYHSMRWBK-NIKIMHBISA-N,"InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H32O26,pos_2_2proton,940.1181811440002,QJYNZEYHSMRWBK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa davurica,733758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa davurica'],6,0,6.0 390,3900,-1,,,,0.0,MS1_match,JQVNCYNADFKYNN-LKODNMENSA-N,"InChI=1S/C25H36O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,22,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,24+,25-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(/C)CO,C25H36O3,pos_2_1proton1potassium,384.266445012,JQVNCYNADFKYNN,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 391,3900,-1,,,,0.0,MS1_match,JQVNCYNADFKYNN-LKODNMENSA-N,"InChI=1S/C25H36O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,22,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,24+,25-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(/C)CO,C25H36O3,pos_2_1proton1potassium,384.266445012,JQVNCYNADFKYNN,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 392,3900,-1,,,,0.0,MS1_match,MLVPRCYREVPVES-LJUDBAABSA-N,"InChI=1S/C25H36O3/c1-18(10-7-8-11-19(2)17-26)12-9-13-20(3)22-14-23-24(4,5)15-21(27)16-25(23,6)28-22/h7-14,21-22,26-27H,15-17H2,1-6H3/b8-7+,12-9+,18-10+,19-11+,20-13-/t21-,22?,25?/m0/s1",C/C(=C/C=C/C(C)=C/C=C/C=C(\C)CO)C1C=C2C(C)(C)C[C@H](O)CC2(C)O1,C25H36O3,pos_2_1proton1potassium,384.266445012,MLVPRCYREVPVES,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 393,3899,78,Alkaloids,Apocarotenoids,Megastigmanes,0.0,MS1_match,FFYPJOJFUJFYAT-AWZIMYOFSA-N,"InChI=1S/C24H38O11/c1-11-7-13(25)8-24(3,4)14(11)6-5-12(2)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h5-7,12,14-23,26-31H,8-10H2,1-4H3/b6-5+/t12-,14+,15-,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_1proton1ammonium,502.241412036,FFYPJOJFUJFYAT,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 394,3899,78,Alkaloids,Apocarotenoids,Megastigmanes,0.0,MS1_match,DQQUPMXQGJRNAW-HYPVQEEESA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_1proton1ammonium,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,8.5 395,3899,78,Alkaloids,Apocarotenoids,Megastigmanes,0.0,MS1_match,DQQUPMXQGJRNAW-HYPVQEEESA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_1proton1ammonium,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 396,3897,-1,,,,0.0,MS1_match,HDDLVZWGOPWKFW-UHFFFAOYSA-N,"InChI=1S/C9H14O7/c1-14-6(10)4-9(13,8(12)16-3)5-7(11)15-2/h13H,4-5H2,1-3H3",COC(=O)CC(O)(CC(=O)OC)C(=O)OC,C9H14O7,pos_1_1proton1ethylamine,234.073952788,HDDLVZWGOPWKFW,Fatty acids,Fatty esters,Wax monoesters,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 397,3894,-1,,,,0.0,MS1_match,HGWQWDQGDCAJEH-UHFFFAOYSA-N,"InChI=1S/C27H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h6-7,9-10,17-18,20-23,28H,2-5,8,11-16,19,24H2,1H3",CCCCCC=CCC=CCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H40O3,pos_2MMg,412.29774514,HGWQWDQGDCAJEH,Polyketides,Aromatic polyketides,Catechols with side chains,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 398,3894,-1,,,,0.0,MS1_match,HGWQWDQGDCAJEH-UHFFFAOYSA-N,"InChI=1S/C27H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h6-7,9-10,17-18,20-23,28H,2-5,8,11-16,19,24H2,1H3",CCCCCC=CCC=CCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H40O3,pos_2MMg,412.29774514,HGWQWDQGDCAJEH,Polyketides,Aromatic polyketides,Catechols with side chains,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 399,3893,-1,,,,0.0,MS1_match,LHSSNRACHZBMIY-JPEWKLRBSA-N,"InChI=1S/C34H52O6/c1-19-12-15-34(29(37)38)17-16-32(8)23(27(34)20(19)2)10-11-26-31(7)18-24(39-21(3)35)28(40-22(4)36)30(5,6)25(31)13-14-33(26,32)9/h10,19-20,24-28H,11-18H2,1-9H3,(H,37,38)/t19-,20+,24-,25+,26-,27+,28+,31+,32-,33-,34+/m1/s1",CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)[C@H]1OC(C)=O,C34H52O6,pos_2_2proton2acetonitrile,556.376389384,LHSSNRACHZBMIY,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 400,3892,207,Shikimates and Phenylpropanoids,Diterpenoids,Noreremophilane sesquiterpenoids,0.4161971,ISDB,JSGVRMXIAILPPO-FWPWNEHFSA-N,"InChI=1S/C24H38O5/c1-9-23(7,27)13-14-24(8)15(2)20(28-16(3)25)21(29-17(4)26)19-18(24)11-10-12-22(19,5)6/h9,15,20-21,27H,1,10-14H2,2-8H3/t15-,20-,21+,23?,24-/m1/s1",C=CC(C)(O)CC[C@@]1(C)C2=C([C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1C)C(C)(C)CCC2,C24H38O5,,406.2719243159999,JSGVRMXIAILPPO,Terpenoids,Diterpenoids,Halimane diterpenoids,Vitex negundo,614659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Vitex'],['Vitex negundo'],4,2,6.664788365364075 401,3892,207,Shikimates and Phenylpropanoids,Diterpenoids,Noreremophilane sesquiterpenoids,0.4161971,ISDB,JSGVRMXIAILPPO-CONUGEHTSA-N,"InChI=1S/C24H38O5/c1-9-23(7,27)13-14-24(8)15(2)20(28-16(3)25)21(29-17(4)26)19-18(24)11-10-12-22(19,5)6/h9,15,20-21,27H,1,10-14H2,2-8H3/t15-,20-,21+,23-,24-/m1/s1",C=C[C@@](C)(O)CC[C@@]1(C)C2=C([C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1C)C(C)(C)CCC2,C24H38O5,,406.2719243159999,JSGVRMXIAILPPO,Terpenoids,Diterpenoids,Halimane diterpenoids,Vitex trifolia,1058581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Vitex'],['Vitex trifolia'],4,2,6.664788365364075 402,3892,207,Shikimates and Phenylpropanoids,Diterpenoids,Noreremophilane sesquiterpenoids,0.4161971,ISDB,JSGVRMXIAILPPO-UHFFFAOYSA-N,"InChI=1S/C24H38O5/c1-9-23(7,27)13-14-24(8)15(2)20(28-16(3)25)21(29-17(4)26)19-18(24)11-10-12-22(19,5)6/h9,15,20-21,27H,1,10-14H2,2-8H3",C=CC(C)(O)CCC1(C)C2=C(C(OC(C)=O)C(OC(C)=O)C1C)C(C)(C)CCC2,C24H38O5,,406.2719243159999,JSGVRMXIAILPPO,Terpenoids,Diterpenoids,Halimane diterpenoids,Vitex rotundifolia,962113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Vitex'],['Vitex rotundifolia'],4,2,6.664788365364075 403,3892,207,Shikimates and Phenylpropanoids,Diterpenoids,Noreremophilane sesquiterpenoids,0.4161971,ISDB,JSGVRMXIAILPPO-CONUGEHTSA-N,"InChI=1S/C24H38O5/c1-9-23(7,27)13-14-24(8)15(2)20(28-16(3)25)21(29-17(4)26)19-18(24)11-10-12-22(19,5)6/h9,15,20-21,27H,1,10-14H2,2-8H3/t15-,20-,21+,23-,24-/m1/s1",C=C[C@@](C)(O)CC[C@@]1(C)C2=C([C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1C)C(C)(C)CCC2,C24H38O5,,406.2719243159999,JSGVRMXIAILPPO,Terpenoids,Diterpenoids,Halimane diterpenoids,Vitex agnus-castus,988127.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Vitex'],['Vitex agnus-castus'],4,2,6.664788365364075 404,3890,451,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XZRJEYQBLXDNNU-BFFMHGNPSA-N,"InChI=1S/C19H34O9/c1-10(27-16-15(24)14(23)13(22)12(9-20)28-16)5-6-19(26)17(2,3)7-11(21)8-18(19,4)25/h5-6,10-16,20-26H,7-9H2,1-4H3/b6-5+/t10-,11+,12+,13+,14-,15+,16+,18-,19-/m0/s1",C[C@@H](/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O9,pos_1_1proton1acetonitrile,406.220282668,XZRJEYQBLXDNNU,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,7.5 405,3888,-1,,,,0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ammonium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 406,3888,-1,,,,0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ammonium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 407,3887,445,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 408,3887,445,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 409,3887,445,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 410,3887,445,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 411,3887,445,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 412,3887,445,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 413,3887,445,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 414,3887,445,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 415,3887,445,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 416,3887,445,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 417,3887,445,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 418,3887,445,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 419,3885,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ethylamine,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 420,3885,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ethylamine,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 421,3885,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 422,3885,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 423,3885,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 424,3885,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 425,3882,153,Terpenoids,Diterpenoids,Acyl phloroglucinols,0.0,MS1_match,MWNIFFJAKKQUJF-UHFFFAOYSA-N,"InChI=1S/C21H30O4/c1-16(2)8-6-9-17(3)11-13-25-21-19(23-4)14-18(10-7-12-22)15-20(21)24-5/h7-8,10-11,14-15,22H,6,9,12-13H2,1-5H3",COc1cc(C=CCO)cc(OC)c1OCC=C(C)CCC=C(C)C,C21H30O4,pos_1_1proton1isopropanol,346.21440944,MWNIFFJAKKQUJF,Shikimates and Phenylpropanoids,,,Scandosorbus intermedia,7637956.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Scandosorbus'],['Scandosorbus intermedia'],6,0,6.0 426,3881,-1,,,,0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1sodium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 427,3881,-1,,,,0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1sodium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 428,3880,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,GOUILHYTHSOMQJ-UHFFFAOYSA-N,"InChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h3-5H,2H2,1H3",CCC1C=CC(=O)O1,C6H8O2,pos_1_1proton2acetonitrile,112.052429496,GOUILHYTHSOMQJ,,,,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 429,3880,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,WSWCOQWTEOXDQX-MQQKCMAXSA-N,"InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+",C/C=C/C=C/C(=O)O,C6H8O2,pos_1_1proton2acetonitrile,112.052429496,WSWCOQWTEOXDQX,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 430,3877,-1,,,,0.0,MS1_match,UEDNMMNLPZRYMI-UHFFFAOYSA-N,"InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5,7-8H,4,6,9H2,1-3H3",CC=C(C)C(=O)OCC=CCCC,C11H18O2,pos_1_1proton1methanol,182.130679816,UEDNMMNLPZRYMI,Fatty acids,Fatty esters,Wax monoesters,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 431,3876,659,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.54606545,ISDB,RUVINXPYWBROJD-ONEGZZNKSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+",C/C=C/c1ccc(OC)cc1,C10H12O,,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,3,11.684261798858643 432,3875,-1,,,,0.36020672,ISDB,FHEJLVSXCHPHAN-FPLPWBNLSA-N,"InChI=1S/C24H36O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(28)21(26)18(2)22(27)24(20)29-19(3)25/h7-8,26H,4-6,9-17H2,1-3H3/b8-7-",CCCC/C=C\CCCCCCCCCC1=C(OC(C)=O)C(=O)C(C)=C(O)C1=O,C24H36O5,,404.256274252,FHEJLVSXCHPHAN,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,Maesa lanceolata,607844.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Maesa'],['Maesa lanceolata'],4,0,5.440826892852783 433,3874,-1,,,,0.0,MS1_match,QSIDJGUAAUSPMG-CULFPKEHSA-N,"InChI=1S/C26H40O8/c1-14-11-25-9-5-16-23(2,7-4-8-24(16,3)22(31)32)17(25)6-10-26(14,13-25)34-21-20(30)19(29)18(28)15(12-27)33-21/h15-21,27-30H,1,4-13H2,2-3H3,(H,31,32)/t15-,16+,17+,18-,19+,20-,21+,23-,24-,25-,26+/m1/s1",C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3,C26H40O8,pos_1_1sodium,480.27231824,QSIDJGUAAUSPMG,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 434,3873,340,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,FEWJPZIEWOKRBE-UHFFFAOYSA-N,"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)",O=C(O)C(O)C(O)C(=O)O,C4H6O6,pos_1_1proton1dmso,150.016437912,FEWJPZIEWOKRBE,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 435,3872,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1potassium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 436,3872,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1potassium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 437,3872,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1potassium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 438,3872,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1potassium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 439,3872,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1potassium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 440,3872,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1potassium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 441,3872,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1potassium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 442,3872,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1potassium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 443,3872,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1potassium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 444,3871,153,Terpenoids,Diterpenoids,Acyl phloroglucinols,0.22687806,ISDB,UDCFQVYVEMPFKM-AKFKNWHVSA-N,"InChI=1S/C24H36O5/c1-16(11-8-13-23(5,6)27)9-7-10-17(2)12-14-24-20(26)15-18(3)21(22(24)29-24)28-19(4)25/h9,12,15,21-22,27H,7-8,10-11,13-14H2,1-6H3/t21-,22-,24+/m1/s1",CC(=O)O[C@@H]1C(C)=CC(=O)[C@]2(CC=C(C)CCC=C(C)CCCC(C)(C)O)O[C@H]12,C24H36O5,,404.256274252,UDCFQVYVEMPFKM,Terpenoids,Meroterpenoids,Merosesquiterpenoids,Aspergillus niger,120377.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus niger'],1,1,2.4075122475624084 445,3870,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 446,3869,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 447,3869,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 448,3869,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 449,3869,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 450,3869,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 451,3869,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 452,3869,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 453,3869,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 454,3869,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 455,3868,164,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.0,MS1_match,NHDWUKKPQOYOFD-UHFFFAOYSA-N,"InChI=1S/C15H24O3/c1-9(2)11-5-6-14(4)8-12-10(3)7-13(16)15(11,14)18-17-12/h7,9,11-13,16H,5-6,8H2,1-4H3",CC1=CC(O)C23OOC1CC2(C)CCC3C(C)C,C15H24O3,pos_2_1proton1potassium,252.172544628,NHDWUKKPQOYOFD,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 456,3866,-1,,,,0.0,MS1_match,FCVMOPRCAKSDFE-JUERTLPWSA-N,"InChI=1S/C35H58O7/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-29-26(13-15-35(24,25)6)34(5)14-12-23(16-22(34)17-27(29)37)41-33-32(40)31(39)30(38)28(18-36)42-33/h17,19-21,23-26,28-33,36,38-40H,7-16,18H2,1-6H3/t20-,21-,23+,24-,25+,26+,28-,29+,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O7,pos_1_1proton1isopropanol,590.4182541959999,FCVMOPRCAKSDFE,Terpenoids,Steroids,Stigmastane steroids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 457,3864,-1,,,,0.0,MS1_match,ISWSIDIOOBJBQZ-UHFFFAOYSA-N,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",Oc1ccccc1,C6H6O,pos_1_1proton2acetonitrile,94.041864812,ISWSIDIOOBJBQZ,Shikimates and Phenylpropanoids,,,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 458,3864,-1,,,,0.0,MS1_match,ISWSIDIOOBJBQZ-UHFFFAOYSA-N,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",Oc1ccccc1,C6H6O,pos_1_1proton2acetonitrile,94.041864812,ISWSIDIOOBJBQZ,Shikimates and Phenylpropanoids,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 459,3864,-1,,,,0.0,MS1_match,ISWSIDIOOBJBQZ-UHFFFAOYSA-N,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",Oc1ccccc1,C6H6O,pos_1_1proton2acetonitrile,94.041864812,ISWSIDIOOBJBQZ,Shikimates and Phenylpropanoids,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 460,3864,-1,,,,0.0,MS1_match,ISWSIDIOOBJBQZ-UHFFFAOYSA-N,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",Oc1ccccc1,C6H6O,pos_1_1proton2acetonitrile,94.041864812,ISWSIDIOOBJBQZ,Shikimates and Phenylpropanoids,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 461,3863,153,Terpenoids,Diterpenoids,Acyl phloroglucinols,0.0,MS1_match,JUHOZBFDQVTUOE-UHFFFAOYSA-N,"InChI=1S/C23H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3,(H,25,26)",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C(=O)O)cc1,C23H36O4,pos_1_1proton1methanol,376.261359632,JUHOZBFDQVTUOE,Shikimates and Phenylpropanoids,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 462,3863,153,Terpenoids,Diterpenoids,Acyl phloroglucinols,0.0,MS1_match,JUHOZBFDQVTUOE-UHFFFAOYSA-N,"InChI=1S/C23H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3,(H,25,26)",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C(=O)O)cc1,C23H36O4,pos_1_1proton1methanol,376.261359632,JUHOZBFDQVTUOE,Shikimates and Phenylpropanoids,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 463,3863,153,Terpenoids,Diterpenoids,Acyl phloroglucinols,0.0,MS1_match,ISGRVSGPQTWWAS-SCFFORSRSA-N,"InChI=1S/C23H36O4/c1-19(2)9-6-10-21(5)15-8-7-14-11-22(15,18(25)16(24)17(19)21)12-23(14)26-13-20(3,4)27-23/h14-15,17-18,25H,6-13H2,1-5H3/t14-,15+,17-,18-,21+,22-,23+/m1/s1",CC1(C)CO[C@@]2(C[C@]34C[C@H]2CC[C@H]3[C@]2(C)CCCC(C)(C)[C@H]2C(=O)[C@H]4O)O1,C23H36O4,pos_1_1proton1methanol,376.261359632,ISGRVSGPQTWWAS,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Physocarpus capitatus,840670.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Neillieae'],['Physocarpus'],['Physocarpus capitatus'],6,2,7.0 464,3862,-1,,,,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_1_1proton1isopropanol,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 465,3862,-1,,,,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_1_1proton1isopropanol,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 466,3860,-1,,,,0.0,MS1_match,BRWKQWFEHBAUSN-MSOLQXFVSA-N,"InChI=1S/C18H20O7/c1-23-15-8-12(4-5-13(15)21)18(22)17(10-20)25-14-6-3-11(9-19)7-16(14)24-2/h3-9,17-18,20-22H,10H2,1-2H3/t17-,18+/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2ccc(C=O)cc2OC)ccc1O,C18H20O7,pos_1_1proton1ammonium,348.12090298,BRWKQWFEHBAUSN,Shikimates and Phenylpropanoids,Lignans,Neolignans,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 467,3860,-1,,,,0.0,MS1_match,QPJPNKHHNVCLCF-UHFFFAOYSA-N,"InChI=1S/C16H16O7/c1-19-12-8(17)6-5-7-9-13(20-2)10(18)15(21-3)16(22-4)14(9)23-11(7)12/h5-6,17-18H,1-4H3",COc1c(O)c(OC)c2c(oc3c(OC)c(O)ccc32)c1OC,C16H16O7,pos_1_1proton1ethylamine,320.089602852,QPJPNKHHNVCLCF,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Mespilus germanica,941737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Mespilus'],['Mespilus germanica'],7,0,7.0 468,3857,-1,,,,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_1_1proton1isopropanol,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 469,3857,-1,,,,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_1_1proton1isopropanol,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 470,3857,-1,,,,0.0,MS1_match,CFNJLPHOBMVMNS-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3",CCCCCOC(=O)CCC,C9H18O2,pos_1_1proton1isopropanol,158.130679816,CFNJLPHOBMVMNS,Fatty acids,Fatty esters,Wax monoesters,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 471,3857,-1,,,,0.0,MS1_match,OTKQNSSMCDLVQV-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3",CCCCOC(=O)C(C)CC,C9H18O2,pos_1_1proton1isopropanol,158.130679816,OTKQNSSMCDLVQV,Fatty acids,Fatty esters,Wax monoesters,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 472,3857,-1,,,,0.0,MS1_match,YUECNVSODFDKOQ-UHFFFAOYSA-N,"InChI=1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3",CCCCCCOC(=O)C(C)CC,C11H22O2,pos_1_1proton1methanol,186.161979944,YUECNVSODFDKOQ,Fatty acids,Fatty esters,Wax monoesters,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 473,3856,-1,,,,0.0,MS1_match,IFYYFLINQYPWGJ-UHFFFAOYSA-N,"InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3",CCCCCCC1CCC(=O)O1,C10H18O2,pos_2MNa,170.130679816,IFYYFLINQYPWGJ,Fatty acids,Fatty esters,Lactones,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 474,3855,576,Amino acids and Peptides,Apocarotenoids,Aminoacids,0.0,MS1_match,XUJNEKJLAYXESH-REOHCLBHSA-N,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1",N[C@@H](CS)C(=O)O,C3H7NO2S,pos_2MCH3CNNa,121.019749464,XUJNEKJLAYXESH,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 475,3855,576,Amino acids and Peptides,Apocarotenoids,Aminoacids,0.0,MS1_match,XUJNEKJLAYXESH-UWTATZPHSA-N,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1",N[C@H](CS)C(=O)O,C3H7NO2S,pos_2MCH3CNNa,121.019749464,XUJNEKJLAYXESH,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 476,3854,-1,,,,0.0,MS1_match,ZHBHZDMTVVJASV-JOSVURMMSA-N,"InChI=1S/C17H22N2O7/c18-10(17(24)25)5-8-6-19(11-4-2-1-3-9(8)11)16-15(23)14(22)13(21)12(7-20)26-16/h1-4,6,10,12-16,20-23H,5,7,18H2,(H,24,25)/t10-,12+,13+,14-,15+,16+/m0/s1",N[C@@H](Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12)C(=O)O,C17H22N2O7,pos_1_minus1proton1magnesium,366.142701044,ZHBHZDMTVVJASV,Amino acids and Peptides,Small peptides,Aminoacids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 477,3851,-1,,,,0.0,MS1_match,BRZWXKGDPAZBLF-GGUWRDFGSA-N,"InChI=1S/C31H50O4/c1-18-11-14-31(26(34)35-8)16-15-29(6)20(24(31)19(18)2)9-10-23-28(5)17-21(32)25(33)27(3,4)22(28)12-13-30(23,29)7/h9,18-19,21-25,32-33H,10-17H2,1-8H3/t18-,19-,21-,22+,23+,24-,25-,28+,29+,30-,31-/m1/s1",COC(=O)[C@@]12CC[C@@H](C)[C@@H](C)[C@@H]1C1=CC[C@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC2,C31H50O4,pos_1_minus1proton1iron,486.3709100799999,BRZWXKGDPAZBLF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus lusitanica,176177.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lusitanica'],8,0,8.0 478,3851,-1,,,,0.0,MS1_match,BRZWXKGDPAZBLF-GGUWRDFGSA-N,"InChI=1S/C31H50O4/c1-18-11-14-31(26(34)35-8)16-15-29(6)20(24(31)19(18)2)9-10-23-28(5)17-21(32)25(33)27(3,4)22(28)12-13-30(23,29)7/h9,18-19,21-25,32-33H,10-17H2,1-8H3/t18-,19-,21-,22+,23+,24-,25-,28+,29+,30-,31-/m1/s1",COC(=O)[C@@]12CC[C@@H](C)[C@@H](C)[C@@H]1C1=CC[C@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC2,C31H50O4,pos_1_minus1proton1iron,486.3709100799999,BRZWXKGDPAZBLF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus lusitanica,176177.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lusitanica'],8,0,8.0 479,3846,530,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ammonium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 480,3846,530,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ammonium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 481,3846,530,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 482,3846,530,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 483,3846,530,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 484,3846,530,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 485,3845,78,Alkaloids,Apocarotenoids,Megastigmanes,0.2050626,ISDB,,,,,,,SZRBDHKPWRMFAO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.820250391960144 486,3844,230,Terpenoids,Diterpenoids,Villanovane diterpenoids,0.0,MS1_match,NVTNXPADRDASMP-PEXIWSMMSA-N,"InChI=1S/C17H30O10/c1-2-3-4-5-6-24-17-15(23)13(21)12(20)10(27-17)8-26-16-14(22)11(19)9(18)7-25-16/h3-4,9-23H,2,5-8H2,1H3/b4-3-/t9-,10-,11+,12-,13+,14-,15-,16+,17-/m1/s1",CC/C=C\CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C17H30O10,pos_1_1proton1acetonitrile,394.18389716,NVTNXPADRDASMP,,,,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 487,3842,-1,,,,0.0,MS1_match,DQVGVYRSVYCJRR-AXRVZGOCSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56-57H,1,14-25,27H2,2-12H3/b34-26+,42-28?,43-29?,44-28?,45-30?,46-29?,47-30?,52-50?/t32-,33-,37+,41+,51-/m1/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C,C55H74N4O5,pos_1_1proton,870.565921468,DQVGVYRSVYCJRR,Alkaloids,,,Fragaria vesca,852873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria vesca'],7,0,7.0 488,3842,-1,,,,0.0,MS1_match,REFBLEJUPUPWLM-UHFFFAOYSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,59,61H,1,14-25,27H2,2-12H3",C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)C(C(=O)OC)C=4C3=NC(=C2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(CC)=C1C,C55H74N4O5,pos_1_1proton,870.565921468,REFBLEJUPUPWLM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Fragaria vesca,852873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria vesca'],7,0,7.0 489,3841,205,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,ROWAKJPQESBVOT-BTIXHMCTSA-N,"InChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9-10,21-22,24,32H,11-19H2,1-8H3/t21-,22-,24-,28-,29+,30+,31-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC=C3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H48O3,pos_1_minus1proton1iron,468.3603453959999,ROWAKJPQESBVOT,Terpenoids,Triterpenoids,Oleanane triterpenoids,Polylepis australis,664137.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis australis'],6,3,7.5 490,3840,312,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,MOEVEIGHSLNJAI-RRXMTBKISA-N,"InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,21,23,25-29H,2,8,12-19H2,1,3-7H3/b10-9+/t21-,23+,25+,26+,27-,28+,29+,30+,31-/m1/s1",C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)CC,C31H48O2,pos_1_minus1proton1iron,452.365430776,MOEVEIGHSLNJAI,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 491,3837,-1,,,,0.0,MS1_match,RJIPICQWXFDSRG-FTCDTSOASA-N,"InChI=1S/C36H38O8/c1-5-7-8-24(6-2)19-35(39)42-23-26-9-14-27(15-10-26)31-22-30(37)36-32(41-4)20-29(21-33(36)44-31)43-34(38)18-13-25-11-16-28(40-3)17-12-25/h9-18,20-22,24H,5-8,19,23H2,1-4H3/b18-13+/t24-/m0/s1",CCCC[C@H](CC)CC(=O)OCc1ccc(-c2cc(=O)c3c(OC)cc(OC(=O)/C=C/c4ccc(OC)cc4)cc3o2)cc1,C36H38O8,pos_2_1proton1sodium,598.256668176,RJIPICQWXFDSRG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 492,3836,-1,,,,0.47348782,ISDB,QSWJYWSRUJSAFH-UHFFFAOYSA-N,"InChI=1S/C10H10O6/c1-15-6-4-3-5(9(11)12)7(10(13)14)8(6)16-2/h3-4H,1-2H3,(H,11,12)(H,13,14)",COc1ccc(C(=O)O)c(C(=O)O)c1OC,C10H10O6,,226.04773804,QSWJYWSRUJSAFH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],4,0,5.8939512968063354 493,3834,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.34580868,ISDB,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,2,8.383234739303589 494,3834,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.34580868,ISDB,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,2,8.383234739303589 495,3833,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,LLEMMFPELBNINR-SKYGPZSASA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,LLEMMFPELBNINR,,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 496,3833,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,LLEMMFPELBNINR-SKYGPZSASA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,LLEMMFPELBNINR,,,,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 497,3833,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,LLEMMFPELBNINR-SKYGPZSASA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,LLEMMFPELBNINR,,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 498,3832,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.29774505,ISDB,MOJZMWJRUKIQGL-WNCKYJNFSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41+,42+,43+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H38O18,,866.2058143760003,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],8,3,10.690980195999146 499,3831,191,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,0.38078254,ISDB,FPIPGXGPPPQFEQ-UHFFFAOYSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3",CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCO,C20H30O,,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Hippophae rhamnoides,623185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Elaeagnaceae'],['Unknown'],['Unknown'],['Hippophae rhamnoides'],5,1,7.023130178451538 500,3830,692,Polyketides,Diterpenoids,Atisane diterpenoids,0.0,MS1_match,XEJKMPUDEZRWRD-ARQDATDDSA-N,"InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-10-11-17(21(23)24)22-13-12-15-18(22)14-16-19(15)20(16)22/h3-8,12-13,15-20H,2,9-11,14H2,1H3,(H,23,24)/b4-3+,6-5+,8-7+",CC/C=C/C=C/C=C/CCCC(C(=O)O)C12C=CC3C4C(CC31)C42,C22H28O2,pos_1_1proton1dmso,324.208930136,XEJKMPUDEZRWRD,Polyketides,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 501,3829,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.23017919,ISDB,VLWGTVNAOQPEJO-UHFFFAOYSA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-13(37)5-11(35)6-15(18)50-29(30)10-2-3-14(12(36)4-10)51-32-27(46)24(43)20(39)16(7-34)52-32/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(OC5OC(CO)C(O)C(O)C5O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,C33H40O21,,772.2062083,VLWGTVNAOQPEJO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,10.420716762542725 502,3828,-1,,,,0.0,MS1_match,XEJKMPUDEZRWRD-ARQDATDDSA-N,"InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-10-11-17(21(23)24)22-13-12-15-18(22)14-16-19(15)20(16)22/h3-8,12-13,15-20H,2,9-11,14H2,1H3,(H,23,24)/b4-3+,6-5+,8-7+",CC/C=C/C=C/C=C/CCCC(C(=O)O)C12C=CC3C4C(CC31)C42,C22H28O2,pos_1_1proton1dmso,324.208930136,XEJKMPUDEZRWRD,Polyketides,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 503,3827,-1,,,,0.63587815,ISDB,YZXBAPSDXZZRGB-UHFFFAOYSA-N,"InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)",CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,C20H32O2,,304.240230264,YZXBAPSDXZZRGB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],6,0,8.54351258277893 504,3825,-1,,,,0.2009914,ISDB,FZNYZIIFIIKWRM-OLYZYIJMSA-N,"InChI=1S/C40H54O4/c1-25-11-17-31-37(3,4)19-9-21-39(31,7)29(25)15-13-27-23-43-35(41)33(27)34-28(24-44-36(34)42)14-16-30-26(2)12-18-32-38(5,6)20-10-22-40(30,32)8/h13-16,29-32H,1-2,9-12,17-24H2,3-8H3/b15-13+,16-14+/t29-,30-,31-,32-,39+,40+/m0/s1",C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C(C2=C(/C=C/[C@H]3C(=C)CC[C@H]4C(C)(C)CCC[C@]34C)COC2=O)C(=O)OC1,C40H54O4,,598.4022102079999,FZNYZIIFIIKWRM,Terpenoids,Sesquiterpenoids,,Alpinia pahangensis,3945930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia pahangensis'],4,0,4.803965628147125 505,3823,-1,,,,0.0,MS1_match,OBTPWWYCOCQFNN-KEQDCMCXSA-N,"InChI=1S/C39H50O25/c40-6-14-21(46)25(50)31(56)38(61-14)63-33-16(8-42)59-36(29(54)27(33)52)19-23(48)18-12(45)5-13(10-1-3-11(44)4-2-10)58-35(18)20(24(19)49)37-30(55)28(53)34(17(9-43)60-37)64-39-32(57)26(51)22(47)15(7-41)62-39/h1-5,14-17,21-22,25-34,36-44,46-57H,6-9H2/t14-,15-,16-,17-,21-,22-,25+,26+,27-,28-,29-,30-,31-,32-,33-,34-,36+,37+,38+,39+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c(O)c12,C39H50O25,pos_2_1proton1potassium,918.2641171,OBTPWWYCOCQFNN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cotoneaster orbicularis,3903052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster orbicularis'],7,0,7.0 506,3822,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1sodium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 507,3822,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1sodium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 508,3822,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 509,3822,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 510,3822,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 511,3822,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 512,3821,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1proton,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 513,3821,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AZFYHRHUTXBGJS-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12,C16H12O7,pos_1_1proton,316.058302724,AZFYHRHUTXBGJS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 514,3816,-1,,,,0.23982972,ISDB,,,,,,,DLSXPIPTSOFREH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9593188762664795 515,3815,900,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,KSNLTHGWURXRJK-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-10(18)8(3)4-11(9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C(C)C)cc1O,C16H24O7,pos_1_1proton1ethylamine,328.152203108,KSNLTHGWURXRJK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,3,7.5 516,3815,900,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,KSNLTHGWURXRJK-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-10(18)8(3)4-11(9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C(C)C)cc1O,C16H24O7,pos_1_1proton1ethylamine,328.152203108,KSNLTHGWURXRJK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,3,7.5 517,3815,900,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,XFPSRAYOBUHKRV-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O7,pos_1_1proton1ethylamine,328.152203108,XFPSRAYOBUHKRV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,3,7.5 518,3815,900,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,XFPSRAYOBUHKRV-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O7,pos_1_1proton1ethylamine,328.152203108,XFPSRAYOBUHKRV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,3,7.5 519,3814,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 520,3814,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],7,0,7.0 521,3814,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],7,0,7.0 522,3814,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 523,3814,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],7,0,7.0 524,3814,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],7,0,7.0 525,3814,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 526,3814,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],7,0,7.0 527,3814,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],7,0,7.0 528,3812,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7844819,ISDB,SOVOSNMYOLGARG-QETNVOEASA-N,"InChI=1S/C27H30O15/c1-9-17(30)20(33)23(36)26(39-9)38-8-15-18(31)21(34)24(37)27(42-15)40-12-6-13(29)16-14(7-12)41-25(22(35)19(16)32)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-21,23-24,26-31,33-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,,594.15847026,SOVOSNMYOLGARG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,12.637927532196045 529,3811,-1,,,,0.0,MS1_match,SOSLMHZOJATCCP-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3",CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O10,pos_2MNa,432.10564684,SOSLMHZOJATCCP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 530,3811,-1,,,,0.0,MS1_match,SOSLMHZOJATCCP-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3",CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O10,pos_2MNa,432.10564684,SOSLMHZOJATCCP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 531,3810,-1,,,,0.7481183,ISDB,NHIWCWBJAOXUBB-JTQLQIEISA-N,"InChI=1S/C10H9NO/c1-2-4-9-7(3-1)8(5-11-9)10-6-12-10/h1-5,10-11H,6H2/t10-/m0/s1",c1ccc2c([C@@H]3CO3)c[nH]c2c1,C10H9NO,,159.068413908,NHIWCWBJAOXUBB,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Moricandia arvensis,420029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Moricandia'],['Moricandia arvensis'],4,0,6.992473125457764 532,3809,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,POIARNZEYGURDG-UHFFFAOYSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3",CC=CC(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 533,3809,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 534,3809,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 535,3809,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],6,3,7.5 536,3809,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,3,7.5 537,3809,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,3,7.5 538,3808,243,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 539,3808,243,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 540,3808,243,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 541,3808,243,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 542,3808,243,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 543,3808,243,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 544,3808,243,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 545,3808,243,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 546,3808,243,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 547,3807,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8489503,ISDB,UXXAEVMOIUAYQT-UFGFRKJLSA-N,"InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-12(25)6-10(23)7-14(15)32-20(21)9-3-4-11(24)13(5-9)30-2/h3-8,16,18-19,22-26,28-29H,1-2H3/t8-,16-,18+,19+,22-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C22H22O11,,462.1162115239998,UXXAEVMOIUAYQT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,12.895801305770874 548,3806,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 549,3806,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 550,3806,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 551,3806,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 552,3806,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 553,3806,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 554,3806,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 555,3806,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 556,3806,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 557,3804,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 558,3804,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 559,3804,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 560,3804,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 561,3804,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 562,3804,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 563,3804,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 564,3804,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 565,3804,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 566,3803,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,pos_1_1proton1ethylamine,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 567,3803,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,pos_1_1proton1ethylamine,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 568,3803,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,UJRMJTIXXKZFGB-AHDKKFSPSA-N,"InChI=1S/C19H34O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12+,14+,15+,16-,17+,18+/m0/s1",CC1=C(CC[C@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1,C19H34O7,pos_1_1proton1acetonitrile,374.2304534279999,UJRMJTIXXKZFGB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 569,3803,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,UJRMJTIXXKZFGB-AHDKKFSPSA-N,"InChI=1S/C19H34O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12+,14+,15+,16-,17+,18+/m0/s1",CC1=C(CC[C@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1,C19H34O7,pos_1_1proton1acetonitrile,374.2304534279999,UJRMJTIXXKZFGB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 570,3803,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,UJRMJTIXXKZFGB-AHDKKFSPSA-N,"InChI=1S/C19H34O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12+,14+,15+,16-,17+,18+/m0/s1",CC1=C(CC[C@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1,C19H34O7,pos_1_1proton1acetonitrile,374.2304534279999,UJRMJTIXXKZFGB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 571,3803,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,UJRMJTIXXKZFGB-AHDKKFSPSA-N,"InChI=1S/C19H34O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12+,14+,15+,16-,17+,18+/m0/s1",CC1=C(CC[C@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1,C19H34O7,pos_1_1proton1acetonitrile,374.2304534279999,UJRMJTIXXKZFGB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 572,3802,269,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.4756049,ISDB,LSXRXFWRYBBFTA-BJBZVNFPSA-N,"InChI=1S/C27H30O15/c1-8-17(31)20(34)22(36)26(38-8)41-14-4-3-10(5-12(14)29)24-25(42-27-23(37)21(35)18(32)9(2)39-27)19(33)16-13(30)6-11(28)7-15(16)40-24/h3-9,17-18,20-23,26-32,34-37H,1-2H3/t8-,9-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2ccc(-c3oc4cc(O)cc(O)c4c(=O)c3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,,594.15847026,LSXRXFWRYBBFTA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],5,3,8.402419567108154 573,3800,718,Alkaloids,Pseudoalkaloids,Purine alkaloids,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,3,7.5 574,3800,718,Alkaloids,Pseudoalkaloids,Purine alkaloids,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,3,7.5 575,3799,52,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCBSMEKEDOHEQI-QHQGJMPNSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 576,3799,52,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCBSMEKEDOHEQI-PBHOCJRSSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23+,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.37599546,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Kageneckia oblonga,616590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Kageneckia'],['Kageneckia oblonga'],7,3,8.5 577,3799,52,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCBSMEKEDOHEQI-QHQGJMPNSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 578,3799,52,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCBSMEKEDOHEQI-PBHOCJRSSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23+,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.37599546,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Kageneckia oblonga,616590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Kageneckia'],['Kageneckia oblonga'],7,3,8.5 579,3798,153,Terpenoids,Diterpenoids,Acyl phloroglucinols,0.0,MS1_match,RPLIDLJMEABHAT-OLQSOZGJSA-N,"InChI=1S/C22H36O5/c1-14(24)27-13-20(3)16-6-9-21-10-15(22(26,11-21)12-23)4-5-17(21)19(16,2)8-7-18(20)25/h15-18,23,25-26H,4-13H2,1-3H3/t15-,16+,17+,18+,19-,20+,21+,22+/m1/s1",CC(=O)OC[C@@]1(C)[C@H]2CC[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CC[C@@H]1O)[C@@](O)(CO)C4,C22H36O5,pos_1_1proton,380.256274252,RPLIDLJMEABHAT,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,2,7.0 580,3797,207,Shikimates and Phenylpropanoids,Diterpenoids,Noreremophilane sesquiterpenoids,0.0,MS1_match,NRHWROIRYIUENC-OYYNGEPBSA-N,"InChI=1S/C19H26O4/c1-11(2)8-18(22)23-17-7-6-14-9-16(21)15(13(4)20)10-19(14,5)12(17)3/h9-12,17H,6-8H2,1-5H3/t12-,17-,19+/m0/s1",CC(=O)C1=C[C@@]2(C)C(=CC1=O)CC[C@H](OC(=O)CC(C)C)[C@@H]2C,C19H26O4,pos_1_1proton1isopropanol,318.183109312,NRHWROIRYIUENC,Terpenoids,Sesquiterpenoids,Noreremophilane sesquiterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 581,3796,-1,,,,0.55771434,ISDB,BPFONPLOHQYTOT-ZSEWYUTFSA-N,"InChI=1S/C15H22O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h8,10-11,13,16H,1,4-7H2,2-3H3,(H,17,18)/t10-,11-,13+,15+/m1/s1",C=C(C(=O)O)[C@H]1C=C2[C@@H](C)[C@@H](O)CC[C@]2(C)CC1,C15H22O3,,250.156894564,BPFONPLOHQYTOT,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Laggera crispata,821323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Laggera'],['Laggera crispata'],4,0,6.2308573722839355 582,3796,-1,,,,0.55771434,ISDB,BPFONPLOHQYTOT-ZSEWYUTFSA-N,"InChI=1S/C15H22O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h8,10-11,13,16H,1,4-7H2,2-3H3,(H,17,18)/t10-,11-,13+,15+/m1/s1",C=C(C(=O)O)[C@H]1C=C2[C@@H](C)[C@@H](O)CC[C@]2(C)CC1,C15H22O3,,250.156894564,BPFONPLOHQYTOT,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Laggera pterodonta,652986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Laggera'],['Laggera pterodonta'],4,0,6.2308573722839355 583,3795,268,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,0.4645457,ISDB,DUKANLAALCEHLW-OAHLLOKOSA-N,"InChI=1S/C15H22O/c1-11(2)13-7-9-15(3)8-6-12(10-16)4-5-14(13)15/h6,10-11H,4-5,7-9H2,1-3H3/t15-/m1/s1",CC(C)C1=C2CCC(C=O)=CC[C@]2(C)CC1,C15H22O,,218.167065324,DUKANLAALCEHLW,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,9.358182787895203 584,3794,121,Terpenoids,Sesquiterpenoids,Noreremophilane sesquiterpenoids,0.0,MS1_match,COUZLISOMSOQSA-ORUWWINDSA-N,"InChI=1S/C14H18O3/c1-8-12(16)5-4-10-6-13(17)11(9(2)15)7-14(8,10)3/h6-8,12,16H,4-5H2,1-3H3/t8-,12-,14+/m0/s1",CC(=O)C1=C[C@@]2(C)C(=CC1=O)CC[C@H](O)[C@@H]2C,C14H18O3,pos_1_1proton1isopropanol,234.125594436,COUZLISOMSOQSA,Terpenoids,Sesquiterpenoids,Noreremophilane sesquiterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,3,7.5 585,3791,142,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.5161964,ISDB,UMEJBWOWZDRULR-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3",CC1=CCC(C(C)C=O)CC1,C10H16O,,152.120115132,UMEJBWOWZDRULR,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,2,11.064785718917847 586,3790,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,8.641126036643982 587,3790,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus laevigata,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,8.641126036643982 588,3790,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,8.641126036643982 589,3790,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,8.641126036643982 590,3790,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,3,8.641126036643982 591,3790,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,3,8.641126036643982 592,3790,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,3,8.641126036643982 593,3789,29,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,KKEXONXLVLHEJJ-FQEVSTJZSA-N,"InChI=1S/C23H20O5/c1-27-21-12-18(25)16(11-15-9-5-6-10-17(15)24)23-22(21)19(26)13-20(28-23)14-7-3-2-4-8-14/h2-10,12,20,24-25H,11,13H2,1H3/t20-/m0/s1",COc1cc(O)c(Cc2ccccc2O)c2c1C(=O)C[C@@H](c1ccccc1)O2,C23H20O5,pos_1_1proton1dmso,376.13107374,KKEXONXLVLHEJJ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Micromeles ferruginea,7637458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Micromeles'],['Micromeles ferruginea'],7,3,8.5 594,3786,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.39417285,ISDB,GTBFQOGSRWBGDY-UJHNSAFVSA-N,"InChI=1S/C27H34O/c1-24(2)21-11-13-27-15-14-25(3,18-27)12-10-22(27)26(21,4)17-20(23(24)28)16-19-8-6-5-7-9-19/h5-9,14-16,21-22H,10-13,17-18H2,1-4H3/b20-16+/t21-,22+,25-,26-,27+/m1/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@H]12)C3,C27H34O,,374.260965708,GTBFQOGSRWBGDY,Terpenoids,Diterpenoids,Beyerane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,1,6.076691389083862 595,3784,474,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1sodium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,8.5 596,3784,474,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1sodium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 597,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 598,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 599,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-RFMFWNHYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 600,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 601,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 602,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 603,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 604,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 605,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,3,9.5 606,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 607,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 608,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,3,9.5 609,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 610,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 611,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 612,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-RFMFWNHYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 613,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,3,9.5 614,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,3,9.5 615,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 616,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 617,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 618,3783,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 619,3782,360,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ZHBHZDMTVVJASV-JOSVURMMSA-N,"InChI=1S/C17H22N2O7/c18-10(17(24)25)5-8-6-19(11-4-2-1-3-9(8)11)16-15(23)14(22)13(21)12(7-20)26-16/h1-4,6,10,12-16,20-23H,5,7,18H2,(H,24,25)/t10-,12+,13+,14-,15+,16+/m0/s1",N[C@@H](Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12)C(=O)O,C17H22N2O7,pos_2_1calcium,366.142701044,ZHBHZDMTVVJASV,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 620,3781,244,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 621,3781,244,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 622,3777,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.30516326,ISDB,MOJZMWJRUKIQGL-WNCKYJNFSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41+,42+,43+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H38O18,,866.2058143760003,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],8,3,10.720653057098389 623,3776,683,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,KALYBGCOEHEKGT-GJZGRUSLSA-N,"InChI=1S/C17H16O7/c1-22-9-5-3-8(4-6-9)15-14(21)13(20)12-10(18)7-11(19)16(23-2)17(12)24-15/h3-7,14-15,18-19,21H,1-2H3/t14-,15-/m0/s1",COc1ccc([C@@H]2Oc3c(OC)c(O)cc(O)c3C(=O)[C@@H]2O)cc1,C17H16O7,pos_1_1sodium,332.089602852,KALYBGCOEHEKGT,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 624,3776,683,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,MEROIHPPFMVPPD-HOTGVXAUSA-N,"InChI=1S/C17H16O7/c1-22-9-5-3-8(4-6-9)16-15(21)13(19)12-11(24-16)7-10(18)17(23-2)14(12)20/h3-7,15-16,18,20-21H,1-2H3/t15-,16-/m0/s1",COc1ccc([C@@H]2Oc3cc(O)c(OC)c(O)c3C(=O)[C@@H]2O)cc1,C17H16O7,pos_1_1sodium,332.089602852,MEROIHPPFMVPPD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 625,3775,114,Polyketides,Cyclic polyketides,2-pyrone derivatives,0.24213964,ISDB,JUGNVZAVZDAHMJ-UPGMHYFXSA-N,"InChI=1S/C20H36O6/c1-2-3-4-5-6-7-14(21)8-15(22)9-16(23)10-17-11-18-12-19(25-17)13-20(24)26-18/h14-19,21-23H,2-13H2,1H3/t14-,15-,16-,17-,18-,19+/m1/s1",CCCCCCC[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H]1C[C@@H]2C[C@@H](CC(=O)O2)O1,C20H36O6,,372.251188872,JUGNVZAVZDAHMJ,Polyketides,Cyclic polyketides,2-pyrone derivatives,Polyrhachis lamellidens,507108.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Formicidae'],['Camponotini'],['Polyrhachis'],['Polyrhachis lamellidens'],1,3,3.4685585498809814 626,3774,-1,,,,0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ethylamine,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 627,3774,-1,,,,0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ethylamine,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 628,3774,-1,,,,0.0,MS1_match,UBWUZHMCADSLDT-SOHRVHQUSA-N,"InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C21H36O8,pos_1_1proton1acetonitrile,416.241018112,UBWUZHMCADSLDT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 629,3773,196,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.32463655,ISDB,WOXYXFWUFXHROX-DMJDIKPUSA-N,"InChI=1S/C15H12O6/c16-6-1-2-8-10(4-6)20-15-12-9(18)3-7(17)5-11(12)21-14(8)13(15)19/h1-5,13-19H/t13?,14-,15+/m1/s1",Oc1ccc2c(c1)O[C@H]1c3c(O)cc(O)cc3O[C@H]2C1O,C15H12O6,,288.063388104,WOXYXFWUFXHROX,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Artocarpus integer,658517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Artocarpus'],['Artocarpus integer'],5,2,7.298546195030212 630,3773,196,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.32463655,ISDB,WOXYXFWUFXHROX-DMJDIKPUSA-N,"InChI=1S/C15H12O6/c16-6-1-2-8-10(4-6)20-15-12-9(18)3-7(17)5-11(12)21-14(8)13(15)19/h1-5,13-19H/t13?,14-,15+/m1/s1",Oc1ccc2c(c1)O[C@H]1c3c(O)cc(O)cc3O[C@H]2C1O,C15H12O6,,288.063388104,WOXYXFWUFXHROX,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Artocarpus heterophyllus,83984.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Artocarpus'],['Artocarpus heterophyllus'],5,2,7.298546195030212 631,3770,208,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.30846062,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,9.233842492103577 632,3770,208,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.30846062,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,9.233842492103577 633,3768,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 634,3768,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BNSCASRSSGJHQH-UHFFFAOYSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,BNSCASRSSGJHQH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,3,9.5 635,3768,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BNSCASRSSGJHQH-UHFFFAOYSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,BNSCASRSSGJHQH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,3,9.5 636,3768,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FDRQPMVGJOQVTL-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 637,3768,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FDRQPMVGJOQVTL-BZARIISDSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 638,3768,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FDRQPMVGJOQVTL-BZARIISDSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 639,3768,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 640,3768,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-LMGQGNMHSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14?,15-,17+,19?,20-,21+,22-,24-,26?,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](OC3OC(CO)[C@H](O)C(O)[C@@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 641,3768,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RPVIQWDFJPYNJM-MPPJEPTCSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20-,21-,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,RPVIQWDFJPYNJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 642,3768,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-LMGQGNMHSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14?,15-,17+,19?,20-,21+,22-,24-,26?,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](OC3OC(CO)[C@H](O)C(O)[C@@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 643,3768,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RPVIQWDFJPYNJM-MPPJEPTCSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20-,21-,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,RPVIQWDFJPYNJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 644,3767,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_1proton,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 645,3767,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_1proton,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 646,3766,689,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,0.0,MS1_match,NLPORPFCUJMKCV-FXCRCATJSA-N,"InChI=1S/C28H38O12/c1-13-22(29)25(32)26(33)28(40-13)39-12-17-16(6-14-7-18(34-2)23(30)19(8-14)35-3)11-38-27(17)15-9-20(36-4)24(31)21(10-15)37-5/h7-10,13,16-17,22,25-33H,6,11-12H2,1-5H3/t13-,16-,17-,22-,25+,26+,27-,28+/m0/s1",COc1cc(C[C@H]2CO[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc(OC)c1O,C28H38O12,pos_1_1proton1ammonium,566.236326656,NLPORPFCUJMKCV,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 647,3766,689,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,0.0,MS1_match,NLPORPFCUJMKCV-FXCRCATJSA-N,"InChI=1S/C28H38O12/c1-13-22(29)25(32)26(33)28(40-13)39-12-17-16(6-14-7-18(34-2)23(30)19(8-14)35-3)11-38-27(17)15-9-20(36-4)24(31)21(10-15)37-5/h7-10,13,16-17,22,25-33H,6,11-12H2,1-5H3/t13-,16-,17-,22-,25+,26+,27-,28+/m0/s1",COc1cc(C[C@H]2CO[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc(OC)c1O,C28H38O12,pos_1_1proton1ammonium,566.236326656,NLPORPFCUJMKCV,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 648,3765,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XEJKMPUDEZRWRD-ARQDATDDSA-N,"InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-10-11-17(21(23)24)22-13-12-15-18(22)14-16-19(15)20(16)22/h3-8,12-13,15-20H,2,9-11,14H2,1H3,(H,23,24)/b4-3+,6-5+,8-7+",CC/C=C/C=C/C=C/CCCC(C(=O)O)C12C=CC3C4C(CC31)C42,C22H28O2,pos_1_minus1proton1iron,324.208930136,XEJKMPUDEZRWRD,Polyketides,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 649,3764,230,Terpenoids,Diterpenoids,Villanovane diterpenoids,0.0,MS1_match,NVTNXPADRDASMP-PEXIWSMMSA-N,"InChI=1S/C17H30O10/c1-2-3-4-5-6-24-17-15(23)13(21)12(20)10(27-17)8-26-16-14(22)11(19)9(18)7-25-16/h3-4,9-23H,2,5-8H2,1H3/b4-3-/t9-,10-,11+,12-,13+,14-,15-,16+,17-/m1/s1",CC/C=C\CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C17H30O10,pos_1_1proton1acetonitrile,394.18389716,NVTNXPADRDASMP,,,,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 650,3762,-1,,,,0.9626857,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,0,9.850742816925049 651,3762,-1,,,,0.9626857,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,0,9.850742816925049 652,3762,-1,,,,0.9626857,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus glaucus,896757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus glaucus'],6,0,9.850742816925049 653,3758,176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96629745,ISDB,RNVUDWOQYYWXBJ-IEGSVRCHSA-N,"InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C20H18O10,,418.089996776,RNVUDWOQYYWXBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa chinensis,1054817.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa chinensis'],6,3,11.365189790725708 654,3758,176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96629745,ISDB,RNVUDWOQYYWXBJ-BWYUNELBSA-N,"InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15+,17-,20+/m1/s1",O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C20H18O10,,418.0899967759999,RNVUDWOQYYWXBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,11.365189790725708 655,3758,176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96629745,ISDB,RNVUDWOQYYWXBJ-BWYUNELBSA-N,"InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15+,17-,20+/m1/s1",O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C20H18O10,,418.0899967759999,RNVUDWOQYYWXBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,11.365189790725708 656,3758,176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96629745,ISDB,RNVUDWOQYYWXBJ-IEGSVRCHSA-N,"InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C20H18O10,,418.089996776,RNVUDWOQYYWXBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa,259066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Unknown'],6,3,11.365189790725708 657,3758,176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96629745,ISDB,RNVUDWOQYYWXBJ-BWYUNELBSA-N,"InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15+,17-,20+/m1/s1",O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C20H18O10,,418.0899967759999,RNVUDWOQYYWXBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus ulmifolius,618036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ulmifolius'],6,3,11.365189790725708 658,3757,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IVKWSOPWPDHRMQ-YQUABMASSA-N,"InChI=1S/C31H28O14/c1-41-22-9-15(8-20(35)26(22)37)30-23(12-18-19(34)10-17(33)11-21(18)43-30)44-31-29(40)28(39)27(38)24(45-31)13-42-25(36)7-4-14-2-5-16(32)6-3-14/h2-12,24,27-29,31-33,35,37-40H,13H2,1H3/t24-,27-,28+,29-,31?/m1/s1",COc1cc(-c2oc3cc(O)cc(=O)c-3cc2OC2O[C@H](COC(=O)C=Cc3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1O,C31H28O14,pos_1_1proton,624.147905576,IVKWSOPWPDHRMQ,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,1,6.5 659,3757,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IVKWSOPWPDHRMQ-YQUABMASSA-N,"InChI=1S/C31H28O14/c1-41-22-9-15(8-20(35)26(22)37)30-23(12-18-19(34)10-17(33)11-21(18)43-30)44-31-29(40)28(39)27(38)24(45-31)13-42-25(36)7-4-14-2-5-16(32)6-3-14/h2-12,24,27-29,31-33,35,37-40H,13H2,1H3/t24-,27-,28+,29-,31?/m1/s1",COc1cc(-c2oc3cc(O)cc(=O)c-3cc2OC2O[C@H](COC(=O)C=Cc3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1O,C31H28O14,pos_1_1proton,624.147905576,IVKWSOPWPDHRMQ,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Rubus,972648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Unknown'],6,1,6.5 660,3757,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RKHQLCNACMCZQU-UHFFFAOYSA-N,"InChI=1S/C31H28O14/c1-41-20-10-14(2-8-18(20)34)3-9-23(36)42-13-22-25(37)27(39)28(40)31(44-22)45-30-26(38)24-19(35)11-17(33)12-21(24)43-29(30)15-4-6-16(32)7-5-15/h2-12,22,25,27-28,31-35,37,39-40H,13H2,1H3",COc1cc(C=CC(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)ccc1O,C31H28O14,pos_1_1proton,624.147905576,RKHQLCNACMCZQU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Polylepis besseri,664135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis besseri'],6,1,6.5 661,3757,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RKHQLCNACMCZQU-UHFFFAOYSA-N,"InChI=1S/C31H28O14/c1-41-20-10-14(2-8-18(20)34)3-9-23(36)42-13-22-25(37)27(39)28(40)31(44-22)45-30-26(38)24-19(35)11-17(33)12-21(24)43-29(30)15-4-6-16(32)7-5-15/h2-12,22,25,27-28,31-35,37,39-40H,13H2,1H3",COc1cc(C=CC(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)ccc1O,C31H28O14,pos_1_1proton,624.147905576,RKHQLCNACMCZQU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Polylepis incana,141740.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis incana'],6,1,6.5 662,3757,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RKHQLCNACMCZQU-UHFFFAOYSA-N,"InChI=1S/C31H28O14/c1-41-20-10-14(2-8-18(20)34)3-9-23(36)42-13-22-25(37)27(39)28(40)31(44-22)45-30-26(38)24-19(35)11-17(33)12-21(24)43-29(30)15-4-6-16(32)7-5-15/h2-12,22,25,27-28,31-35,37,39-40H,13H2,1H3",COc1cc(C=CC(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)ccc1O,C31H28O14,pos_1_1proton,624.147905576,RKHQLCNACMCZQU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Polylepis besseri,664135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis besseri'],6,1,6.5 663,3757,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RKHQLCNACMCZQU-UHFFFAOYSA-N,"InChI=1S/C31H28O14/c1-41-20-10-14(2-8-18(20)34)3-9-23(36)42-13-22-25(37)27(39)28(40)31(44-22)45-30-26(38)24-19(35)11-17(33)12-21(24)43-29(30)15-4-6-16(32)7-5-15/h2-12,22,25,27-28,31-35,37,39-40H,13H2,1H3",COc1cc(C=CC(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)ccc1O,C31H28O14,pos_1_1proton,624.147905576,RKHQLCNACMCZQU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Polylepis incana,141740.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis incana'],6,1,6.5 664,3757,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FSHKRIFUEGZCIN-DPFCLURTSA-N,"InChI=1S/C31H28O14/c1-41-20-10-15(5-8-18(20)33)30-28(39)26(37)24-19(34)11-17(12-21(24)44-30)43-31-29(40)27(38)25(36)22(45-31)13-42-23(35)9-4-14-2-6-16(32)7-3-14/h2-12,22,25,27,29,31-34,36,38-40H,13H2,1H3/b9-4+/t22-,25-,27+,29-,31-/m1/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O)ccc1O,C31H28O14,pos_1_1proton,624.147905576,FSHKRIFUEGZCIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,1,6.5 665,3756,671,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,STCAYONHVRVXOL-AZLQIUJGSA-N,"InChI=1S/C14H26O9/c1-17-9-7(15)5-22-14(12(9)20-4)23-8-6-21-13(16)11(19-3)10(8)18-2/h7-16H,5-6H2,1-4H3/t7-,8-,9+,10+,11-,12-,13-,14-/m1/s1",CO[C@@H]1[C@@H](OC)[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OC)[C@H]2OC)OC[C@H]1O,C14H26O9,pos_1_1proton1acetonitrile,338.157682412,STCAYONHVRVXOL,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 666,3754,129,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ammonium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 667,3754,129,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ammonium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 668,3753,281,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,RZLBDMQWYCAIEA-QDWIBDRMSA-N,"InChI=1S/C22H28O7/c1-25-11-5-6-15-7-10-18(20(12-15)27-3)29-21(14-23)22(28-4)16-8-9-17(24)19(13-16)26-2/h5-10,12-13,21-24H,11,14H2,1-4H3/b6-5+/t21-,22-/m1/s1",COC/C=C/c1ccc(O[C@H](CO)[C@H](OC)c2ccc(O)c(OC)c2)c(OC)c1,C22H28O7,pos_1_1sodium,404.1835032359999,RZLBDMQWYCAIEA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 669,3753,281,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,RZLBDMQWYCAIEA-QDWIBDRMSA-N,"InChI=1S/C22H28O7/c1-25-11-5-6-15-7-10-18(20(12-15)27-3)29-21(14-23)22(28-4)16-8-9-17(24)19(13-16)26-2/h5-10,12-13,21-24H,11,14H2,1-4H3/b6-5+/t21-,22-/m1/s1",COC/C=C/c1ccc(O[C@H](CO)[C@H](OC)c2ccc(O)c(OC)c2)c(OC)c1,C22H28O7,pos_1_1sodium,404.1835032359999,RZLBDMQWYCAIEA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 670,3752,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SHZMGEYUEFSGCM-DNRYLMBSSA-N,"InChI=1S/C15H20O8/c1-6-4-8(17)7-2-3-21-14(10(6)7)23-15-13(20)12(19)11(18)9(5-16)22-15/h2-4,7,9-16,18-20H,5H2,1H3/t7-,9+,10+,11+,12-,13+,14-,15-/m0/s1",CC1=CC(=O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H20O8,pos_1_1proton1ethylamine,328.1158176,SHZMGEYUEFSGCM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 671,3751,3,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1sodium,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 672,3751,3,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1sodium,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 673,3751,3,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1sodium,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 674,3751,3,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1sodium,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 675,3750,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.95742244,ISDB,XEXCLTHHXIWUHO-UHFFFAOYSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C24H22O14,,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,11.329689741134644 676,3750,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.95742244,ISDB,XEXCLTHHXIWUHO-UHFFFAOYSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C24H22O14,,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,11.329689741134644 677,3748,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 678,3748,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 679,3748,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 680,3748,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 681,3748,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 682,3748,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 683,3748,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 684,3748,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 685,3748,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 686,3748,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 687,3748,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 688,3748,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 689,3746,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ethylamine,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,8.5 690,3746,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ethylamine,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 691,3744,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.3524349,ISDB,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,2,8.40973961353302 692,3744,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.3524349,ISDB,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,2,8.40973961353302 693,3742,340,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,UCTWMZQNUQWSLP-VIFPVBQESA-N,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1",CNC[C@H](O)c1ccc(O)c(O)c1,C9H13NO3,pos_1_1proton1ethylamine,183.089543276,UCTWMZQNUQWSLP,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 694,3742,340,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,UCTWMZQNUQWSLP-VIFPVBQESA-N,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1",CNC[C@H](O)c1ccc(O)c(O)c1,C9H13NO3,pos_1_1proton1ethylamine,183.089543276,UCTWMZQNUQWSLP,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],7,0,7.0 695,3741,412,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.43140167,ISDB,FZJHCRDUXLHHKI-DGMRPHBWSA-N,"InChI=1S/C27H28O18/c28-6-13-15(32)17(34)20(37)26(43-13)41-8-4-11(31)14-12(5-8)42-22(7-1-2-9(29)10(30)3-7)23(16(14)33)44-27-21(38)18(35)19(36)24(45-27)25(39)40/h1-5,13,15,17-21,24,26-32,34-38H,6H2,(H,39,40)/t13-,15-,17+,18+,19+,20-,21-,24+,26-,27-/m1/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C27H28O18,,640.127564056,FZJHCRDUXLHHKI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alchemilla speciosa,3904373.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Alchemilla'],['Alchemilla speciosa'],7,3,10.225606679916382 696,3740,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.24002178,ISDB,GBDITKZBAOCLPE-NGKWUEFESA-N,"InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-40-37(7,8)26-33(45-40)27-39(40,10)44)15-11-12-16-29(2)19-14-20-31(4)34(42)23-35(43)38(9)25-32(41)24-36(38,5)6/h11-23,32-33,41-42,44H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+,34-23-/t32-,33-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C,C40H56O5,,616.412774892,GBDITKZBAOCLPE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Crassostrea gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,2,2.9600871205329895 697,3740,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.24002178,ISDB,GBDITKZBAOCLPE-NGKWUEFESA-N,"InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-40-37(7,8)26-33(45-40)27-39(40,10)44)15-11-12-16-29(2)19-14-20-31(4)34(42)23-35(43)38(9)25-32(41)24-36(38,5)6/h11-23,32-33,41-42,44H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+,34-23-/t32-,33-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C,C40H56O5,,616.412774892,GBDITKZBAOCLPE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Magallana gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,2,2.9600871205329895 698,3737,270,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,LIEIOJNANXUNDT-UHFFFAOYSA-N,"InChI=1S/C21H27NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,11,13,17H,1,8-10,12H2,2-5H3",C=CC1=CC(C)C(C)(OC(C)=O)C(=O)OCC2=CCN(C)CCC(OC1=O)C2=O,C21H27NO7,pos_2MFe,405.178752204,LIEIOJNANXUNDT,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,3,7.5 699,3737,270,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,LIEIOJNANXUNDT-WIOQBUNOSA-N,"InChI=1S/C21H27NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,11,13,17H,1,8-10,12H2,2-5H3/b15-11-,16-7-/t13-,17-,21+/m1/s1",C=C/C1=C/[C@@H](C)[C@](C)(OC(C)=O)C(=O)OC/C2=C/CN(C)CC[C@@H](OC1=O)C2=O,C21H27NO7,pos_2MFe,405.178752204,LIEIOJNANXUNDT,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,3,7.5 700,3737,270,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,LIEIOJNANXUNDT-WIOQBUNOSA-N,"InChI=1S/C21H27NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,11,13,17H,1,8-10,12H2,2-5H3/b15-11-,16-7-/t13-,17-,21+/m1/s1",C=C/C1=C/[C@@H](C)[C@](C)(OC(C)=O)C(=O)OC/C2=C/CN(C)CC[C@@H](OC1=O)C2=O,C21H27NO7,pos_2MFe,405.178752204,LIEIOJNANXUNDT,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],6,3,7.5 701,3733,208,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.30846062,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,9.233842492103577 702,3733,208,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.30846062,ISDB,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,9.233842492103577 703,3733,208,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.30846062,ISDB,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,9.233842492103577 704,3733,208,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.30846062,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,9.233842492103577 705,3732,129,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ammonium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,8.5 706,3732,129,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ammonium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 707,3731,689,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,0.0,MS1_match,NLPORPFCUJMKCV-FXCRCATJSA-N,"InChI=1S/C28H38O12/c1-13-22(29)25(32)26(33)28(40-13)39-12-17-16(6-14-7-18(34-2)23(30)19(8-14)35-3)11-38-27(17)15-9-20(36-4)24(31)21(10-15)37-5/h7-10,13,16-17,22,25-33H,6,11-12H2,1-5H3/t13-,16-,17-,22-,25+,26+,27-,28+/m0/s1",COc1cc(C[C@H]2CO[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc(OC)c1O,C28H38O12,pos_1_1proton1ammonium,566.236326656,NLPORPFCUJMKCV,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 708,3731,689,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,0.0,MS1_match,NLPORPFCUJMKCV-FXCRCATJSA-N,"InChI=1S/C28H38O12/c1-13-22(29)25(32)26(33)28(40-13)39-12-17-16(6-14-7-18(34-2)23(30)19(8-14)35-3)11-38-27(17)15-9-20(36-4)24(31)21(10-15)37-5/h7-10,13,16-17,22,25-33H,6,11-12H2,1-5H3/t13-,16-,17-,22-,25+,26+,27-,28+/m0/s1",COc1cc(C[C@H]2CO[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc(OC)c1O,C28H38O12,pos_1_1proton1ammonium,566.236326656,NLPORPFCUJMKCV,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 709,3728,-1,,,,0.0,MS1_match,AXODAJZSINDBPB-CMIVNYFOSA-N,"InChI=1S/C29H32O10/c1-5-12(2)24(35)23-26(37)17(25(36)13(3)27(23)38-4)9-15-19(31)11-20(32)16-10-22(34)28(39-29(15)16)14-6-7-18(30)21(33)8-14/h6-8,11-12,22,28,30-34,36-37H,5,9-10H2,1-4H3/t12-,22+,28-/m1/s1",CC[C@@H](C)C(=O)c1c(O)c(Cc2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)c(O)c(C)c1OC,C29H32O10,pos_1_1sodium,540.1995472239998,AXODAJZSINDBPB,Polyketides,Phloroglucinols,Dimeric phloroglucinols,Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,6.0 710,3725,629,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1sodium1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Alchemilla pentaphyllea,962789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Alchemilla'],['Alchemilla pentaphyllea'],7,3,8.5 711,3724,638,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,0.0,MS1_match,UTPBCUCEDIRSFI-KHLXKNNCSA-N,"InChI=1S/C27H38O12/c1-34-19-7-14(8-20(35-2)24(19)31)5-16(11-28)17(12-38-27-26(33)23(30)18(29)13-39-27)6-15-9-21(36-3)25(32)22(10-15)37-4/h7-10,16-18,23,26-33H,5-6,11-13H2,1-4H3/t16-,17-,18-,23+,26-,27-/m1/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C27H38O12,pos_1_1sodium,554.236326656,UTPBCUCEDIRSFI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 712,3724,638,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,0.0,MS1_match,UTPBCUCEDIRSFI-KHLXKNNCSA-N,"InChI=1S/C27H38O12/c1-34-19-7-14(8-20(35-2)24(19)31)5-16(11-28)17(12-38-27-26(33)23(30)18(29)13-39-27)6-15-9-21(36-3)25(32)22(10-15)37-4/h7-10,16-18,23,26-33H,5-6,11-13H2,1-4H3/t16-,17-,18-,23+,26-,27-/m1/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C27H38O12,pos_1_1sodium,554.236326656,UTPBCUCEDIRSFI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 713,3723,-1,,,,0.44855645,ISDB,RIWNMJBJRPCUBX-UHFFFAOYSA-N,"InChI=1S/C15H18O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5-9,16H,1-4H3",Cc1cc2c(C(C)C)ccc(C)c2cc1O,C15H18O,,214.135765196,RIWNMJBJRPCUBX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Ulmus glabra,218596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Ulmaceae'],['Unknown'],['Ulmus'],['Ulmus glabra'],5,0,6.794225811958313 714,3721,402,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.49801472,ISDB,VZZQQZMZDJETCS-GUKRZAEASA-N,"InChI=1S/C20H20O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-4,6-9,11-13,21-22,24H,5,10H2,1H3/b9-4+,17-13-",COc1cc(CCC(=O)/C=C(O)/C=C/c2ccc(O)cc2)ccc1O,C20H20O5,,340.13107374,VZZQQZMZDJETCS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Aframomum letestuanum,791472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Aframomum'],['Aframomum letestuanum'],4,3,7.492058873176575 715,3720,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.49170932,ISDB,VMYXUZSZMNBRCN-CQSZACIVSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1",CC(C)=CCC[C@@H](C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],5,3,8.466837286949158 716,3720,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.49170932,ISDB,VMYXUZSZMNBRCN-AWEZNQCLSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m0/s1",CC(C)=CCC[C@H](C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],5,3,8.466837286949158 717,3719,402,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.47425938,ISDB,VZZQQZMZDJETCS-GUKRZAEASA-N,"InChI=1S/C20H20O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-4,6-9,11-13,21-22,24H,5,10H2,1H3/b9-4+,17-13-",COc1cc(CCC(=O)/C=C(O)/C=C/c2ccc(O)cc2)ccc1O,C20H20O5,,340.13107374,VZZQQZMZDJETCS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Aframomum letestuanum,791472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Aframomum'],['Aframomum letestuanum'],4,3,7.397037506103516 718,3716,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 719,3716,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 720,3716,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 721,3716,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 722,3716,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 723,3716,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 724,3715,154,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.21591094,ISDB,KCYOZNARADAZIZ-GZIUEBSLSA-N,"InChI=1S/C40H56O3/c1-28(18-13-20-30(3)33-24-35-37(5,6)22-15-23-39(35,9)42-33)16-11-12-17-29(2)19-14-21-31(4)34-25-36-38(7,8)26-32(41)27-40(36,10)43-34/h11-14,16-21,24-25,32-34,41H,15,22-23,26-27H2,1-10H3/b12-11+,18-13+,19-14+,28-16+,29-17+,30-20+,31-21+/t32-,33+,34+,39-,40+/m1/s1",CC(/C=C/C=C(\C)[C@@H]1C=C2C(C)(C)CCC[C@@]2(C)O1)=C\C=C\C=C(C)\C=C\C=C(/C)[C@@H]1C=C2C(C)(C)C[C@@H](O)C[C@]2(C)O1,C40H56O3,,584.422945652,KCYOZNARADAZIZ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,10.363643765449524 725,3714,636,Shikimates and Phenylpropanoids,Polycyclic aromatic polyketides,Isoflavones,0.0,MS1_match,WUADCCWRTIWANL-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3",COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,C16H12O5,pos_1_1proton,284.068473484,WUADCCWRTIWANL,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 726,3714,636,Shikimates and Phenylpropanoids,Polycyclic aromatic polyketides,Isoflavones,0.0,MS1_match,YSINCDVRUMTOPK-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-13-6-11(18)7-14-15(13)16(19)12(8-21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)cc2occ(-c3ccc(O)cc3)c(=O)c12,C16H12O5,pos_1_1proton,284.068473484,YSINCDVRUMTOPK,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Cotoneaster simonsii,3903153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster simonsii'],6,3,7.5 727,3714,636,Shikimates and Phenylpropanoids,Polycyclic aromatic polyketides,Isoflavones,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],6,3,7.5 728,3714,636,Shikimates and Phenylpropanoids,Polycyclic aromatic polyketides,Isoflavones,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],6,3,7.5 729,3714,636,Shikimates and Phenylpropanoids,Polycyclic aromatic polyketides,Isoflavones,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,3,7.5 730,3714,636,Shikimates and Phenylpropanoids,Polycyclic aromatic polyketides,Isoflavones,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 731,3714,636,Shikimates and Phenylpropanoids,Polycyclic aromatic polyketides,Isoflavones,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],6,3,7.5 732,3714,636,Shikimates and Phenylpropanoids,Polycyclic aromatic polyketides,Isoflavones,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],6,3,7.5 733,3713,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.44690388,ISDB,AUASPLXQOHHJLG-ILXRZTDVSA-N,"InChI=1S/C15H24O/c1-11(2)13-7-9-15(3)8-6-12(10-16)4-5-14(13)15/h6,13-14,16H,1,4-5,7-10H2,2-3H3/t13-,14+,15+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)CC=C(CO)CC[C@@H]12,C15H24O,,220.182715388,AUASPLXQOHHJLG,Terpenoids,Sesquiterpenoids,Isodaucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,2,8.787615537643433 734,3711,130,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.47333875,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,7.393355011940002 735,3711,130,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.47333875,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,7.393355011940002 736,3709,-1,,,,0.0,MS1_match,JDTFCGGOAXAFRS-TZVGKFEXSA-N,"InChI=1S/C25H42O12/c1-11-8-14(26)9-24(4,5)25(11,33)7-6-12(2)35-23-21(32)19(30)17(28)15(37-23)10-34-22-20(31)18(29)16(27)13(3)36-22/h8,12-13,15-23,27-33H,6-7,9-10H2,1-5H3/t12-,13+,15-,16+,17-,18-,19+,20-,21-,22-,23+,25-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H42O12,pos_1_1proton1ethylamine,534.267626784,JDTFCGGOAXAFRS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 737,3709,-1,,,,0.0,MS1_match,JDTFCGGOAXAFRS-TZVGKFEXSA-N,"InChI=1S/C25H42O12/c1-11-8-14(26)9-24(4,5)25(11,33)7-6-12(2)35-23-21(32)19(30)17(28)15(37-23)10-34-22-20(31)18(29)16(27)13(3)36-22/h8,12-13,15-23,27-33H,6-7,9-10H2,1-5H3/t12-,13+,15-,16+,17-,18-,19+,20-,21-,22-,23+,25-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H42O12,pos_1_1proton1ethylamine,534.267626784,JDTFCGGOAXAFRS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 738,3708,-1,,,,0.0,MS1_match,MVVPJSSIOPWZBQ-ONDOEPAXSA-N,"InChI=1S/C28H38O12/c1-12-22(30)25(33)26(34)28(40-12)39-11-16-15(10-29)6-13-7-19(37-4)24(32)27(38-5)21(13)20(16)14-8-17(35-2)23(31)18(9-14)36-3/h7-9,12,15-16,20,22,25-26,28-34H,6,10-11H2,1-5H3/t12-,15-,16-,20+,22-,25+,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc(OC)c1O,C28H38O12,pos_1_1proton1ammonium,566.2363266559998,MVVPJSSIOPWZBQ,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 739,3708,-1,,,,0.0,MS1_match,MVVPJSSIOPWZBQ-ONDOEPAXSA-N,"InChI=1S/C28H38O12/c1-12-22(30)25(33)26(34)28(40-12)39-11-16-15(10-29)6-13-7-19(37-4)24(32)27(38-5)21(13)20(16)14-8-17(35-2)23(31)18(9-14)36-3/h7-9,12,15-16,20,22,25-26,28-34H,6,10-11H2,1-5H3/t12-,15-,16-,20+,22-,25+,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc(OC)c1O,C28H38O12,pos_1_1proton1ammonium,566.2363266559998,MVVPJSSIOPWZBQ,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 740,3708,-1,,,,0.0,MS1_match,MVVPJSSIOPWZBQ-ONDOEPAXSA-N,"InChI=1S/C28H38O12/c1-12-22(30)25(33)26(34)28(40-12)39-11-16-15(10-29)6-13-7-19(37-4)24(32)27(38-5)21(13)20(16)14-8-17(35-2)23(31)18(9-14)36-3/h7-9,12,15-16,20,22,25-26,28-34H,6,10-11H2,1-5H3/t12-,15-,16-,20+,22-,25+,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc(OC)c1O,C28H38O12,pos_1_1proton1ammonium,566.2363266559998,MVVPJSSIOPWZBQ,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 741,3708,-1,,,,0.0,MS1_match,MVVPJSSIOPWZBQ-ONDOEPAXSA-N,"InChI=1S/C28H38O12/c1-12-22(30)25(33)26(34)28(40-12)39-11-16-15(10-29)6-13-7-19(37-4)24(32)27(38-5)21(13)20(16)14-8-17(35-2)23(31)18(9-14)36-3/h7-9,12,15-16,20,22,25-26,28-34H,6,10-11H2,1-5H3/t12-,15-,16-,20+,22-,25+,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc(OC)c1O,C28H38O12,pos_1_1proton1ammonium,566.2363266559998,MVVPJSSIOPWZBQ,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 742,3708,-1,,,,0.0,MS1_match,NLPORPFCUJMKCV-FXCRCATJSA-N,"InChI=1S/C28H38O12/c1-13-22(29)25(32)26(33)28(40-13)39-12-17-16(6-14-7-18(34-2)23(30)19(8-14)35-3)11-38-27(17)15-9-20(36-4)24(31)21(10-15)37-5/h7-10,13,16-17,22,25-33H,6,11-12H2,1-5H3/t13-,16-,17-,22-,25+,26+,27-,28+/m0/s1",COc1cc(C[C@H]2CO[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc(OC)c1O,C28H38O12,pos_1_1proton1ammonium,566.236326656,NLPORPFCUJMKCV,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 743,3708,-1,,,,0.0,MS1_match,NLPORPFCUJMKCV-FXCRCATJSA-N,"InChI=1S/C28H38O12/c1-13-22(29)25(32)26(33)28(40-13)39-12-17-16(6-14-7-18(34-2)23(30)19(8-14)35-3)11-38-27(17)15-9-20(36-4)24(31)21(10-15)37-5/h7-10,13,16-17,22,25-33H,6,11-12H2,1-5H3/t13-,16-,17-,22-,25+,26+,27-,28+/m0/s1",COc1cc(C[C@H]2CO[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc(OC)c1O,C28H38O12,pos_1_1proton1ammonium,566.236326656,NLPORPFCUJMKCV,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 744,3707,-1,,,,0.0,MS1_match,FFYPJOJFUJFYAT-AWZIMYOFSA-N,"InChI=1S/C24H38O11/c1-11-7-13(25)8-24(3,4)14(11)6-5-12(2)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h5-7,12,14-23,26-31H,8-10H2,1-4H3/b6-5+/t12-,14+,15-,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_1proton1acetonitrile,502.241412036,FFYPJOJFUJFYAT,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 745,3707,-1,,,,0.0,MS1_match,DQQUPMXQGJRNAW-HYPVQEEESA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_1proton1acetonitrile,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 746,3707,-1,,,,0.0,MS1_match,DQQUPMXQGJRNAW-HYPVQEEESA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_1proton1acetonitrile,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 747,3706,134,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 748,3706,134,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 749,3706,134,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 750,3706,134,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 751,3706,134,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 752,3706,134,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 753,3706,134,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 754,3706,134,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 755,3706,134,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 756,3706,134,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 757,3706,134,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 758,3706,134,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KEIZXGINFPDITQ-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C28H32O16,pos_2_2sodium,624.1690349439999,KEIZXGINFPDITQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 759,3706,134,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 760,3706,134,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KEIZXGINFPDITQ-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C28H32O16,pos_2_2sodium,624.1690349439999,KEIZXGINFPDITQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 761,3706,134,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 762,3706,134,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 763,3706,134,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 764,3705,-1,,,,0.0,MS1_match,NIABBGMPPWXWOJ-UHFFFAOYSA-N,"InChI=1S/C26H28O16/c27-6-13-16(32)18(34)20(36)26(40-13)41-23-17(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-22(14)24(21(23)37)42-25-19(35)15(31)11(30)7-38-25/h1-5,11,13,15-16,18-20,25-28,30-37H,6-7H2",O=c1cc(-c2ccc(O)cc2)oc2c(OC3OCC(O)C(O)C3O)c(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c12,C26H28O16,pos_2_2proton,596.1377348159998,NIABBGMPPWXWOJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 765,3703,229,Fatty acids,Fatty Acids and Conjugates,Flavan-3-ols,0.0,MS1_match,OEIJRRGCTVHYTH-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,13,15-16H,10H2",OC1Cc2ccccc2OC1c1ccccc1,C15H14O2,pos_2MMg,226.099379688,OEIJRRGCTVHYTH,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 766,3702,-1,,,,0.0,MS1_match,QIVBCDIJIAJPQS-VIFPVBQESA-N,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C11H12N2O2,pos_1_1proton1isopropanol,204.089877624,QIVBCDIJIAJPQS,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 767,3702,-1,,,,0.0,MS1_match,QIVBCDIJIAJPQS-VIFPVBQESA-N,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C11H12N2O2,pos_1_1proton1isopropanol,204.089877624,QIVBCDIJIAJPQS,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 768,3702,-1,,,,0.0,MS1_match,DRLFMBDRBRZALE-UHFFFAOYSA-N,"InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)",COc1ccc2[nH]cc(CCNC(C)=O)c2c1,C13H16N2O2,pos_1_1proton1methanol,232.121177752,DRLFMBDRBRZALE,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 769,3701,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5384857,ISDB,BJFKUIUNGGPCAB-SGSCGOSXSA-N,"InChI=1S/C19H32O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h12,14-18,20,22-24H,5-9H2,1-4H3/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)CCC1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H32O7,,372.2148033639999,BJFKUIUNGGPCAB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Epimedium grandiflorum,655264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium grandiflorum'],4,3,7.653942823410034 770,3701,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5384857,ISDB,BJFKUIUNGGPCAB-SGSCGOSXSA-N,"InChI=1S/C19H32O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h12,14-18,20,22-24H,5-9H2,1-4H3/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)CCC1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H32O7,,372.2148033639999,BJFKUIUNGGPCAB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Campanula medium,112632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Campanula'],['Campanula medium'],4,3,7.653942823410034 771,3701,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5384857,ISDB,BJFKUIUNGGPCAB-SGSCGOSXSA-N,"InChI=1S/C19H32O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h12,14-18,20,22-24H,5-9H2,1-4H3/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)CCC1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H32O7,,372.2148033639999,BJFKUIUNGGPCAB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Panax notoginseng,831322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax notoginseng'],4,3,7.653942823410034 772,3701,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5384857,ISDB,BJFKUIUNGGPCAB-VKSRGFPUSA-N,"InChI=1S/C19H32O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h12,14-18,20,22-24H,5-9H2,1-4H3/t12-,14-,15-,16+,17-,18+/m1/s1",CC(=O)CCC1=C(C)C[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H32O7,,372.2148033639999,BJFKUIUNGGPCAB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Epimedium sagittatum,175143.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium sagittatum'],4,3,7.653942823410034 773,3696,-1,,,,0.0,MS1_match,FFYPJOJFUJFYAT-AWZIMYOFSA-N,"InChI=1S/C24H38O11/c1-11-7-13(25)8-24(3,4)14(11)6-5-12(2)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h5-7,12,14-23,26-31H,8-10H2,1-4H3/b6-5+/t12-,14+,15-,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_1proton1acetonitrile,502.241412036,FFYPJOJFUJFYAT,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 774,3696,-1,,,,0.0,MS1_match,DQQUPMXQGJRNAW-HYPVQEEESA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_1proton1acetonitrile,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 775,3696,-1,,,,0.0,MS1_match,DQQUPMXQGJRNAW-HYPVQEEESA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_1proton1acetonitrile,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 776,3695,538,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PSYRONNZYLYIOG-RBBVTJSLSA-N,"InChI=1S/C14H16O8/c15-8-3-1-7(5-9(8)16)2-4-11(18)22-14-13(20)12(19)10(17)6-21-14/h1-5,10,12-17,19-20H,6H2/b4-2+/t10-,12+,13-,14+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C14H16O8,pos_1_1proton1ethylamine,312.084517472,PSYRONNZYLYIOG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rubus sanctus,96557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus sanctus'],6,3,7.5 777,3695,538,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PSYRONNZYLYIOG-RBBVTJSLSA-N,"InChI=1S/C14H16O8/c15-8-3-1-7(5-9(8)16)2-4-11(18)22-14-13(20)12(19)10(17)6-21-14/h1-5,10,12-17,19-20H,6H2/b4-2+/t10-,12+,13-,14+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C14H16O8,pos_1_1proton1ethylamine,312.084517472,PSYRONNZYLYIOG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rubus sanguineus,96557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus sanctus'],6,3,7.5 778,3695,538,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LNRJPFZEOOOQOH-MYXURULXSA-N,"InChI=1S/C16H20O8/c1-22-12(18)7-6-9-4-2-3-5-10(9)23-16-15(21)14(20)13(19)11(8-17)24-16/h2-7,11,13-17,19-21H,8H2,1H3/b7-6+/t11-,13-,14+,15-,16-/m1/s1",COC(=O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O8,pos_1_1proton1ammonium,340.1158176,LNRJPFZEOOOQOH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],6,3,7.5 779,3695,538,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MTOYMHLXRWCTMD-ORXIWHNOSA-N,"InChI=1S/C16H20O8/c1-22-10-5-2-9(3-6-10)4-7-12(17)23-8-11-13(18)14(19)15(20)16(21)24-11/h2-7,11,13-16,18-21H,8H2,1H3/b7-4+/t11-,13-,14+,15-,16-/m1/s1",COc1ccc(/C=C/C(=O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)cc1,C16H20O8,pos_1_1proton1ammonium,340.1158176,MTOYMHLXRWCTMD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea canescens,832446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea canescens'],6,3,7.5 780,3694,742,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 781,3694,742,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 782,3690,454,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.41858202,ISDB,XKDYFRZJOFUFSX-SSHBRRBFSA-N,"InChI=1S/C32H38O19/c1-11-19(36)22(39)24(41)29(47-11)45-8-17-20(37)23(40)25(42)30(50-17)48-14-6-15(35)18-16(7-14)49-26(12-2-4-13(34)5-3-12)27(21(18)38)51-31-28(43)32(44,9-33)10-46-31/h2-7,11,17,19-20,22-25,28-31,33-37,39-44H,8-10H2,1H3/t11-,17-,19-,20+,22+,23+,24+,25-,28+,29+,30+,31+,32-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](Oc3cc(O)c4c(=O)c(O[C@H]5OC[C@@](O)(CO)[C@@H]5O)c(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C32H38O19,,726.200728996,XKDYFRZJOFUFSX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Silphium perfoliatum,464977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Silphium'],['Silphium perfoliatum'],4,3,7.174328088760376 783,3687,-1,,,,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1sodium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 784,3687,-1,,,,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1sodium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,0,8.0 785,3687,-1,,,,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1sodium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spinulosa,574227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinulosa'],8,0,8.0 786,3687,-1,,,,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1sodium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 787,3687,-1,,,,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1sodium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,0,8.0 788,3687,-1,,,,0.0,MS1_match,VFPGPPMQCHGMCT-ITSUVCJSSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1sodium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 789,3687,-1,,,,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1sodium,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 790,3687,-1,,,,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1sodium,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 791,3687,-1,,,,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1sodium,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 792,3687,-1,,,,0.0,MS1_match,WYYUKFFHGFCNBT-MBPYKEKKSA-N,"InChI=1S/C21H22O9/c22-15-14(11-28-20(27)13-9-5-2-6-10-13)29-21(17(24)16(15)23)30-18(19(25)26)12-7-3-1-4-8-12/h1-10,14-18,21-24H,11H2,(H,25,26)/t14-,15-,16+,17-,18-,21+/m1/s1",O=C(OC[C@H]1O[C@@H](O[C@@H](C(=O)O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1,C21H22O9,pos_1_1sodium,418.1263822839999,WYYUKFFHGFCNBT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 793,3687,-1,,,,0.0,MS1_match,CNNUKFIXGVQJSF-CQQLTZKSSA-N,"InChI=1S/C21H22O9/c1-27-11-4-2-10(3-5-11)16-8-14(23)18-13(22)6-12(7-17(18)30-16)29-21-20(26)19(25)15(24)9-28-21/h2-7,15-16,19-22,24-26H,8-9H2,1H3/t15-,16-,19+,20-,21+/m1/s1",COc1ccc([C@H]2CC(=O)c3c(O)cc(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1,C21H22O9,pos_1_1sodium,418.1263822839999,CNNUKFIXGVQJSF,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 794,3687,-1,,,,0.0,MS1_match,OVWZFLKQVPSRDZ-UHFFFAOYSA-N,"InChI=1S/C21H22O9/c1-9-18(25)19(26)20(27)21(28-9)30-16-7-12(23)6-15-17(16)13(24)8-14(29-15)10-2-4-11(22)5-3-10/h2-7,9,14,18-23,25-27H,8H2,1H3",CC1OC(Oc2cc(O)cc3c2C(=O)CC(c2ccc(O)cc2)O3)C(O)C(O)C1O,C21H22O9,pos_1_1sodium,418.126382284,OVWZFLKQVPSRDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 795,3686,-1,,,,0.0,MS1_match,XYGMVEGBGQSULF-RQEVDEIRSA-N,"InChI=1S/C14H16O6/c15-9-3-1-8(7-12(9)18)2-6-13(19)20-14-10(16)4-5-11(14)17/h1-3,6-7,10-11,14-18H,4-5H2/b6-2+/t10-,11+,14?",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC[C@@H]1O,C14H16O6,pos_2_2proton,280.094688232,XYGMVEGBGQSULF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 796,3686,-1,,,,0.0,MS1_match,RXKJUJBLHWQKCA-ZIEFYORRSA-N,"InChI=1S/C14H16O6/c15-9-3-1-8(7-11(9)17)2-6-13(18)20-12-5-4-10(16)14(12)19/h1-3,6-7,10,12,14-17,19H,4-5H2/b6-2+/t10-,12-,14-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC[C@@H](O)[C@H]1O,C14H16O6,pos_2_2proton,280.094688232,RXKJUJBLHWQKCA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 797,3686,-1,,,,0.0,MS1_match,UFMHRCWIOQTPRQ-GQUPQBGVSA-N,"InChI=1S/C21H24O9/c1-27-15-9-12(10-22)7-8-14(15)29-21-19(25)18(24)17(23)16(30-21)11-28-20(26)13-5-3-2-4-6-13/h2-9,16-19,21-25H,10-11H2,1H3/t16-,17-,18+,19-,21-/m1/s1",COc1cc(CO)ccc1O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O,C21H24O9,pos_3_3proton,420.1420323479999,UFMHRCWIOQTPRQ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 798,3685,291,Terpenoids,Diterpenoids,Villanovane diterpenoids,0.0,MS1_match,BVXCYBXEGSWALE-BLGCMAGHSA-N,"InChI=1S/C26H40O6/c1-16(27)31-18-13-19-23(2,3)8-7-9-25(19,5)26-11-10-24(4,15-26)20(12-17(18)26)32-22(29)14-21(28)30-6/h17-20H,7-15H2,1-6H3/t17-,18+,19+,20-,24+,25+,26+/m1/s1",COC(=O)CC(=O)O[C@@H]1C[C@@H]2[C@@H](OC(C)=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3,C26H40O6,pos_2MFe,448.282489,BVXCYBXEGSWALE,Terpenoids,Diterpenoids,Villanovane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,3,7.5 799,3684,-1,,,,0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1potassium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 800,3684,-1,,,,0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1potassium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 801,3682,-1,,,,0.6019394,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,10.40775752067566 802,3682,-1,,,,0.6019394,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,10.40775752067566 803,3682,-1,,,,0.6019394,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,10.40775752067566 804,3680,-1,,,,0.0,MS1_match,NAMLDTWANUOXLT-PLYASPIUSA-N,"InChI=1S/C34H40N4O4/c1-23(2)21-29(38(3)4)33(40)37-30-31(26-13-9-6-10-14-26)42-27-17-15-24(16-18-27)19-20-35-32(39)28(36-34(30)41)22-25-11-7-5-8-12-25/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19-/t28-,29+,30-,31-/m1/s1",CC(C)C[C@@H](C(=O)N[C@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1c1ccccc1)N(C)C,C34H40N4O4,pos_1_minus1proton1iron,568.30495576,NAMLDTWANUOXLT,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,0,7.0 805,3677,474,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1sodium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 806,3677,474,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1sodium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 807,3674,130,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.3013344,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,6.705337643623352 808,3674,130,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.3013344,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,6.705337643623352 809,3670,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,AGBINTPCVYIOJW-NJNULVQQSA-N,"InChI=1S/C11H17NO8/c12-1-6-11(3-14,20-6)4-18-10-9(17)8(16)7(15)5(2-13)19-10/h5-10,13-17H,2-4H2/t5-,6+,7-,8+,9-,10-,11-/m1/s1",N#C[C@@H]1O[C@]1(CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO8,pos_1_1proton1isopropanol,291.095416504,AGBINTPCVYIOJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Exochorda serratifolia,717971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Exochorda'],['Exochorda serratifolia'],6,0,6.0 810,3670,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,AGBINTPCVYIOJW-NJNULVQQSA-N,"InChI=1S/C11H17NO8/c12-1-6-11(3-14,20-6)4-18-10-9(17)8(16)7(15)5(2-13)19-10/h5-10,13-17H,2-4H2/t5-,6+,7-,8+,9-,10-,11-/m1/s1",N#C[C@@H]1O[C@]1(CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO8,pos_1_1proton1isopropanol,291.095416504,AGBINTPCVYIOJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Exochorda giraldii,207985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Exochorda'],['Exochorda giraldii'],6,0,6.0 811,3670,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,AGBINTPCVYIOJW-NJNULVQQSA-N,"InChI=1S/C11H17NO8/c12-1-6-11(3-14,20-6)4-18-10-9(17)8(16)7(15)5(2-13)19-10/h5-10,13-17H,2-4H2/t5-,6+,7-,8+,9-,10-,11-/m1/s1",N#C[C@@H]1O[C@]1(CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO8,pos_1_1proton1isopropanol,291.095416504,AGBINTPCVYIOJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Rhodotypos scandens,156934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Rhodotypos'],['Rhodotypos scandens'],6,0,6.0 812,3669,669,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,ZZTOVZGFHZQEAT-FBEISHDNSA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-3-8(1-2-11(15)24)20-13(26)6-10-12(25)4-9(23)5-14(10)30-20/h1-5,13,16-29H,6-7H2/t13-,16+,17+,18-,19+,20+,21+/m0/s1",OC[C@H]1O[C@@H](Oc2cc([C@H]3Oc4cc(O)cc(O)c4C[C@@H]3O)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O11,pos_1_1sodium,452.131861588,ZZTOVZGFHZQEAT,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],8,3,9.5 813,3669,669,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,YOVYWMDLYSJYPO-UHFFFAOYSA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-5,15-29H,6-7H2",OCC1OC(OC2Cc3c(O)cc(O)cc3OC2c2ccc(O)c(O)c2)C(O)C(O)C1O,C21H24O11,pos_1_1sodium,452.131861588,YOVYWMDLYSJYPO,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],8,3,9.5 814,3669,669,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,YOVYWMDLYSJYPO-UHFFFAOYSA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-5,15-29H,6-7H2",OCC1OC(OC2Cc3c(O)cc(O)cc3OC2c2ccc(O)c(O)c2)C(O)C(O)C1O,C21H24O11,pos_1_1sodium,452.131861588,YOVYWMDLYSJYPO,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],8,3,9.5 815,3667,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.45881867,ISDB,AUASPLXQOHHJLG-ILXRZTDVSA-N,"InChI=1S/C15H24O/c1-11(2)13-7-9-15(3)8-6-12(10-16)4-5-14(13)15/h6,13-14,16H,1,4-5,7-10H2,2-3H3/t13-,14+,15+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)CC=C(CO)CC[C@@H]12,C15H24O,,220.182715388,AUASPLXQOHHJLG,Terpenoids,Sesquiterpenoids,Isodaucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,2,8.835274696350098 816,3666,-1,,,,0.0,MS1_match,HBOMRMZGLXFXCE-UIJYHZMPSA-N,"InChI=1S/C25H26O14/c1-8(26)20-16(30)18(32)24(37-20)35-11-6-12(28)14-13(7-11)36-21(9-2-4-10(27)5-3-9)22(15(14)29)38-25-19(33)17(31)23(34)39-25/h2-8,16-20,23-28,30-34H,1H3/t8-,16+,17-,18-,19-,20-,23+,24-,25-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O[C@H]4O[C@@H](O)[C@@H](O)[C@@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C25H26O14,pos_1_1proton,550.132255512,HBOMRMZGLXFXCE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 817,3665,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.8348341,ISDB,WHFHDVDXYKOSKI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3",C=Cc1ccc(CC)cc1,C10H12,,132.093900384,WHFHDVDXYKOSKI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia kobus,664531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kobus'],4,3,8.839336395263672 818,3663,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-UHFFFAOYSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)",O=C(O)C=Cc1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 819,3663,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 820,3663,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 821,3663,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 822,3663,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 823,3663,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,3,9.5 824,3663,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 825,3663,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 826,3663,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 827,3663,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 828,3661,-1,,,,0.0,MS1_match,DXMITXYQZDSXOV-PZLTVSJUSA-N,"InChI=1S/C28H26O18/c1-42-28-22(38)24(46-27(41)11-6-16(33)21(37)17(34)7-11)23(45-26(40)10-4-14(31)20(36)15(32)5-10)18(44-28)8-43-25(39)9-2-12(29)19(35)13(30)3-9/h2-7,18,22-24,28-38H,8H2,1H3/t18-,22-,23-,24-,28-/m1/s1",CO[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O,C28H26O18,pos_1_1proton1methanol,650.1119139919999,DXMITXYQZDSXOV,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 829,3661,-1,,,,0.0,MS1_match,ITRFLIAWJCCQTF-VOMOLILNSA-N,"InChI=1S/C28H26O18/c1-42-28-24(46-27(41)11-6-16(33)21(37)17(34)7-11)23(45-26(40)10-4-14(31)20(36)15(32)5-10)22(38)18(44-28)8-43-25(39)9-2-12(29)19(35)13(30)3-9/h2-7,18,22-24,28-38H,8H2,1H3/t18-,22-,23+,24-,28-/m1/s1",CO[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1,C28H26O18,pos_1_1proton1methanol,650.111913992,ITRFLIAWJCCQTF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 830,3660,130,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.22295125,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,6.391804993152618 831,3660,130,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.22295125,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,6.391804993152618 832,3659,166,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,VHQQPFLOGSTQPC-UHFFFAOYSA-N,"InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,C35H72,pos_1_minus1proton2sodium,492.563402304,VHQQPFLOGSTQPC,Fatty acids,Fatty acyls,Hydrocarbons,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,3,9.5 833,3659,166,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,VHQQPFLOGSTQPC-UHFFFAOYSA-N,"InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,C35H72,pos_1_minus1proton2sodium,492.563402304,VHQQPFLOGSTQPC,Fatty acids,Fatty acyls,Hydrocarbons,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,3,9.5 834,3658,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.46541747,ISDB,LUWBRNPYIXNQTG-UHFFFAOYSA-N,"InChI=1S/C15H24O/c1-11(2)15(16)10-9-14(4)8-7-12(3)5-6-13(14)15/h7,13,16H,1,5-6,8-10H2,2-4H3",C=C(C)C1(O)CCC2(C)CC=C(C)CCC21,C15H24O,,220.182715388,LUWBRNPYIXNQTG,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,2,8.861669898033142 835,3656,150,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,LLENXGNWVNSBQG-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1methanol,636.096263928,LLENXGNWVNSBQG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,3,7.5 836,3656,150,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,MACFXELYCBWKGT-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1methanol,636.0962639279999,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,3,7.5 837,3656,150,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,MACFXELYCBWKGT-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1methanol,636.0962639279999,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,3,7.5 838,3656,150,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,MACFXELYCBWKGT-UHFFFAOYSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2",O=C(OC1OC(CO)C(O)C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1methanol,636.096263928,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 839,3656,150,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,MACFXELYCBWKGT-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1methanol,636.0962639279999,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,3,7.5 840,3656,150,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,MACFXELYCBWKGT-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1methanol,636.0962639279999,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,3,7.5 841,3656,150,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,MACFXELYCBWKGT-UHFFFAOYSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2",O=C(OC1OC(CO)C(O)C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1methanol,636.096263928,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 842,3656,150,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,KCQFLGUEZXYOER-KQBVCUEBSA-N,"InChI=1S/C27H24O18/c28-12-1-9(2-13(29)19(12)34)23(37)42-7-18-22(45-25(39)11-5-16(32)21(36)17(33)6-11)27(41,26(40)44-18)8-43-24(38)10-3-14(30)20(35)15(31)4-10/h1-6,18,22,26,28-36,40-41H,7-8H2/t18-,22-,26-,27-/m1/s1",O=C(OC[C@H]1O[C@@H](O)[C@@](O)(COC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1methanol,636.096263928,KCQFLGUEZXYOER,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,3,7.5 843,3655,-1,,,,0.0,MS1_match,FPJFPMQEUVMUKU-CDDCGRQRSA-N,"InChI=1S/C26H34O10/c1-12-23(30)24(31)25(32)26(36-12)35-11-17-15(10-27)6-14-8-21(34-3)19(29)9-16(14)22(17)13-4-5-18(28)20(7-13)33-2/h4-5,7-9,12,15,17,22-32H,6,10-11H2,1-3H3/t12-,15-,17-,22-,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton,506.2151972879998,FPJFPMQEUVMUKU,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 844,3655,-1,,,,0.0,MS1_match,FPJFPMQEUVMUKU-CDDCGRQRSA-N,"InChI=1S/C26H34O10/c1-12-23(30)24(31)25(32)26(36-12)35-11-17-15(10-27)6-14-8-21(34-3)19(29)9-16(14)22(17)13-4-5-18(28)20(7-13)33-2/h4-5,7-9,12,15,17,22-32H,6,10-11H2,1-3H3/t12-,15-,17-,22-,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton,506.2151972879998,FPJFPMQEUVMUKU,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 845,3655,-1,,,,0.0,MS1_match,AVAZTTIAQSFWRK-JKPLZBKSSA-N,"InChI=1S/C26H34O10/c1-12-23(29)24(30)25(31)26(36-12)35-11-16-19(32-2)8-14-9-21(34-4)18(28)10-15(14)22(16)13-5-6-17(27)20(7-13)33-3/h5-7,9-10,12,16,19,22-31H,8,11H2,1-4H3/t12-,16-,19+,22-,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](OC)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton,506.215197288,AVAZTTIAQSFWRK,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 846,3655,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 847,3655,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 848,3655,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 849,3655,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 850,3655,-1,,,,0.0,MS1_match,RLJNIUWDLJTFJV-DZUWHBGLSA-N,"InChI=1S/C26H34O10/c1-13-22(29)23(30)24(31)26(36-13)35-12-17-16(8-14-4-6-18(27)20(9-14)32-2)11-34-25(17)15-5-7-19(28)21(10-15)33-3/h4-7,9-10,13,16-17,22-31H,8,11-12H2,1-3H3/t13-,16+,17+,22-,23+,24+,25-,26+/m0/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton,506.215197288,RLJNIUWDLJTFJV,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 851,3655,-1,,,,0.0,MS1_match,RLJNIUWDLJTFJV-DZUWHBGLSA-N,"InChI=1S/C26H34O10/c1-13-22(29)23(30)24(31)26(36-13)35-12-17-16(8-14-4-6-18(27)20(9-14)32-2)11-34-25(17)15-5-7-19(28)21(10-15)33-3/h4-7,9-10,13,16-17,22-31H,8,11-12H2,1-3H3/t13-,16+,17+,22-,23+,24+,25-,26+/m0/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton,506.215197288,RLJNIUWDLJTFJV,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 852,3654,-1,,,,0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_2MNa,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 853,3654,-1,,,,0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_2MNa,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 854,3651,-1,,,,0.0,MS1_match,HLUTZZRCDYPATC-FZYQUXMESA-N,"InChI=1S/C23H26O10/c24-15-5-1-13(2-6-15)9-10-31-23-22(30)21(29)20(28)18(33-23)12-32-19(27)8-4-14-3-7-16(25)17(26)11-14/h1-8,11,18,20-26,28-30H,9-10,12H2/b8-4+/t18-,20-,21+,22-,23-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C23H26O10,pos_1_minus1proton1magnesium,462.152597032,HLUTZZRCDYPATC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 855,3650,-1,,,,0.0,MS1_match,CJBIGGJNXVLZLI-UHFFFAOYSA-N,"InChI=1S/C20H18O11/c21-6-13(26)17(28)14(27)7-30-20-18(29)16-12(25)4-9(22)5-15(16)31-19(20)8-1-2-10(23)11(24)3-8/h1-6,13-14,17,22-28H,7H2",O=CC(O)C(O)C(O)COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O,C20H18O11,pos_1_1proton,434.084911396,CJBIGGJNXVLZLI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 856,3650,-1,,,,0.0,MS1_match,PZZRDJXEMZMZFD-IEGSVRCHSA-N,"InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.0849113959998,PZZRDJXEMZMZFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 857,3650,-1,,,,0.0,MS1_match,BDCDNTVZSILEOY-UXYNSRGZSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.0849113959998,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 858,3650,-1,,,,0.0,MS1_match,BDCDNTVZSILEOY-UXYNSRGZSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.0849113959998,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 859,3650,-1,,,,0.0,MS1_match,PZZRDJXEMZMZFD-IEGSVRCHSA-N,"InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.0849113959998,PZZRDJXEMZMZFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 860,3650,-1,,,,0.0,MS1_match,PZZRDJXEMZMZFD-IEGSVRCHSA-N,"InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.0849113959998,PZZRDJXEMZMZFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 861,3648,-1,,,,0.0,MS1_match,NAMLDTWANUOXLT-PLYASPIUSA-N,"InChI=1S/C34H40N4O4/c1-23(2)21-29(38(3)4)33(40)37-30-31(26-13-9-6-10-14-26)42-27-17-15-24(16-18-27)19-20-35-32(39)28(36-34(30)41)22-25-11-7-5-8-12-25/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19-/t28-,29+,30-,31-/m1/s1",CC(C)C[C@@H](C(=O)N[C@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1c1ccccc1)N(C)C,C34H40N4O4,pos_1_minus1proton1iron,568.30495576,NAMLDTWANUOXLT,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,0,7.0 862,3647,804,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.0,MS1_match,PLUOSPXAEMKKRW-GVHGUOPMSA-N,"InChI=1S/C21H28O7/c1-6-11(2)18(24)27-16-15-12(3)19(25)28-21(15,26-5)10-13-8-7-9-14(17(22)23)20(13,16)4/h6,13-14,16H,7-10H2,1-5H3,(H,22,23)/b11-6-/t13-,14-,16-,20+,21-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CCC[C@H](C(=O)O)[C@]21C,C21H28O7,pos_2MFe,392.1835032359999,PLUOSPXAEMKKRW,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Scandosorbus intermedia,7637956.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Scandosorbus'],['Scandosorbus intermedia'],6,3,7.5 863,3646,-1,,,,0.0,MS1_match,UXCJSPHEVUMWLQ-UHFFFAOYSA-N,"InChI=1S/C13H20O6/c1-7(14)18-8-5-11(2,3)13(17)9(15)10(16)19-12(13,4)6-8/h8,10,16-17H,5-6H2,1-4H3",CC(=O)OC1CC(C)(C)C2(O)C(=O)C(O)OC2(C)C1,C13H20O6,pos_2MNa,272.12598836,UXCJSPHEVUMWLQ,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,0,7.0 864,3643,577,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,HVFHEQBFSAYLMY-RRZLQCMWSA-N,"InChI=1S/C14H18O10/c1-22-13(21)5-2-6(16)9(17)7(3-5)23-14-12(20)11(19)10(18)8(4-15)24-14/h2-3,8,10-12,14-20H,4H2,1H3/t8-,10-,11+,12-,14-/m1/s1",COC(=O)c1cc(O)c(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C14H18O10,pos_1_1proton1ammonium,346.0899967759999,HVFHEQBFSAYLMY,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Rosa davurica,733758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa davurica'],6,3,7.5 865,3643,577,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,HVFHEQBFSAYLMY-RRZLQCMWSA-N,"InChI=1S/C14H18O10/c1-22-13(21)5-2-6(16)9(17)7(3-5)23-14-12(20)11(19)10(18)8(4-15)24-14/h2-3,8,10-12,14-20H,4H2,1H3/t8-,10-,11+,12-,14-/m1/s1",COC(=O)c1cc(O)c(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C14H18O10,pos_1_1proton1ammonium,346.0899967759999,HVFHEQBFSAYLMY,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Rosa davurica,733758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa davurica'],6,3,7.5 866,3643,577,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FNCIIGZVDLRIDE-RRZLQCMWSA-N,"InChI=1S/C14H18O10/c1-22-14-12(20)11(19)10(18)8(24-14)4-23-13(21)5-2-6(15)9(17)7(16)3-5/h2-3,8,10-12,14-20H,4H2,1H3/t8-,10-,11+,12-,14-/m1/s1",CO[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,C14H18O10,pos_1_1proton1ammonium,346.089996776,FNCIIGZVDLRIDE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,3,7.5 867,3641,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,FLIGBOJDMKIOFG-HRILGXCUSA-N,"InChI=1S/C41H56O16/c1-20-16-40-13-9-26-38(2,11-4-12-39(26,3)37(52)56-35-33(50)31(48)29(46)24(17-42)54-35)27(40)10-14-41(20,19-40)57-36-34(51)32(49)30(47)25(55-36)18-53-28(45)8-6-21-5-7-22(43)23(44)15-21/h5-8,15,24-27,29-36,42-44,46-51H,1,4,9-14,16-19H2,2-3H3/b8-6+/t24-,25-,26+,27+,29-,30-,31+,32+,33-,34-,35+,36+,38-,39-,40-,41+/m1/s1",C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2CC[C@]1(O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)C3,C41H56O16,pos_2_1proton1potassium,804.356835712,FLIGBOJDMKIOFG,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 868,3641,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,RROVYEBHBRTBDC-HRILGXCUSA-N,"InChI=1S/C41H56O16/c1-20-16-40-13-9-26-38(2,27(40)10-14-41(20,19-40)57-36-34(51)31(48)29(46)24(17-42)54-36)11-4-12-39(26,3)37(52)56-35-33(50)32(49)30(47)25(55-35)18-53-28(45)8-6-21-5-7-22(43)23(44)15-21/h5-8,15,24-27,29-36,42-44,46-51H,1,4,9-14,16-19H2,2-3H3/b8-6+/t24-,25-,26+,27+,29-,30-,31+,32+,33-,34-,35+,36+,38-,39-,40-,41+/m1/s1",C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2CC[C@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3,C41H56O16,pos_2_1proton1potassium,804.356835712,RROVYEBHBRTBDC,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 869,3641,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,FJUKDAZEABGEIH-UHFFFAOYSA-N,"InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)",O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc(F)cc1)CC2,C22H26FN3O2,pos_1_1potassium,383.200905292,FJUKDAZEABGEIH,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Spiraea japonica,785024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea japonica'],6,0,6.0 870,3640,-1,,,,0.0,MS1_match,QRFZGLTZLZZHCM-VAFJUPRQSA-N,"InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60-,61-,62+,63+,64-,65+,66+,67-,68-,69-,70?,71-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C75H62O30,pos_2_1proton1potassium,1442.332590584,QRFZGLTZLZZHCM,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus laevigata,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],7,0,7.0 871,3640,-1,,,,0.0,MS1_match,QRFZGLTZLZZHCM-VAFJUPRQSA-N,"InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60-,61-,62+,63+,64-,65+,66+,67-,68-,69-,70?,71-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C75H62O30,pos_2_1proton1potassium,1442.332590584,QRFZGLTZLZZHCM,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus laevigata,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],7,0,7.0 872,3638,-1,,,,0.0,MS1_match,FBSFWRHWHYMIOG-UHFFFAOYSA-N,"InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3",COC(=O)c1cc(O)c(O)c(O)c1,C8H8O5,pos_1_1proton,184.037173356,FBSFWRHWHYMIOG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 873,3638,-1,,,,0.0,MS1_match,FBSFWRHWHYMIOG-UHFFFAOYSA-N,"InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3",COC(=O)c1cc(O)c(O)c(O)c1,C8H8O5,pos_1_1proton,184.037173356,FBSFWRHWHYMIOG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 874,3637,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.5348088,ISDB,PPPHDQNXPNUKNK-IUODEOHRSA-N,"InChI=1S/C15H20O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h5,9,12H,2,4,6-8H2,1,3H3,(H,16,17)/t12-,15-/m1/s1",C=C(C(=O)O)[C@H]1C=C2C(C)=CCC[C@]2(C)CC1,C15H20O2,,232.14632988,PPPHDQNXPNUKNK,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Laggera alata,821315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Laggera'],['Laggera alata'],4,1,6.639235258102417 875,3634,340,Amino acids and Peptides,Small peptides,Aminoacids,0.27689856,ISDB,PMGIXDOHMGRTOF-UHFFFAOYSA-N,"InChI=1S/C11H21N3O3/c1-4-5-10(11(12)16)6-7-14(17)13-8(2)9(3)15/h6-10,15H,4-5H2,1-3H3,(H2,12,16)",CCCC(C=C[N+]([O-])=NC(C)C(C)O)C(N)=O,C11H21N3O3,,243.158291532,PMGIXDOHMGRTOF,Alkaloids,Pseudoalkaloids,Azo and Azoxy alkaloids,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,1.1075942516326904 876,3631,454,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8242303,ISDB,GSTBDLJYXUQTFK-FXZGYOIDSA-N,"InChI=1S/C32H38O20/c1-9-19(38)28(51-30-24(43)20(39)15(37)7-46-30)26(45)31(48-9)47-8-17-21(40)23(42)25(44)32(50-17)52-29-22(41)18-14(36)5-11(33)6-16(18)49-27(29)10-2-3-12(34)13(35)4-10/h2-6,9,15,17,19-21,23-26,28,30-40,42-45H,7-8H2,1H3/t9-,15+,17+,19-,20-,21-,23-,24+,25+,26+,28+,30-,31+,32-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C32H38O20,,742.195643616,GSTBDLJYXUQTFK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus galegiformis,530209.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus malacophyllus'],4,3,8.796921253204346 877,3631,454,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8242303,ISDB,GSTBDLJYXUQTFK-FODKTCEYSA-N,"InChI=1S/C32H38O20/c1-9-19(38)28(51-30-24(43)20(39)15(37)7-46-30)26(45)31(48-9)47-8-17-21(40)23(42)25(44)32(50-17)52-29-22(41)18-14(36)5-11(33)6-16(18)49-27(29)10-2-3-12(34)13(35)4-10/h2-6,9,15,17,19-21,23-26,28,30-40,42-45H,7-8H2,1H3/t9-,15+,17+,19-,20-,21+,23-,24+,25+,26+,28+,30-,31+,32-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C32H38O20,,742.1956436160001,GSTBDLJYXUQTFK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Camellia japonica,1058514.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia japonica'],4,3,8.796921253204346 878,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-WZASNERQSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41?/m1/s1",O=C(OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.1025310800004,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,0,6.0 879,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-ANGOHYEVSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34-,35-,41+/m0/s1",O=C(O[C@H]1O[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 880,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-ANGOHYEVSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34-,35-,41+/m0/s1",O=C(O[C@H]1O[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 881,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa roxburghii,383285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa roxburghii'],6,0,6.0 882,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus hiraseanus,3907505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus hiraseanus'],6,0,6.0 883,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 884,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum aleppicum,77545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum aleppicum'],6,0,6.0 885,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus masakii,3905955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus masakii'],6,0,6.0 886,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus hirsutus,149322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus hirsutus'],6,0,6.0 887,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus ohmineanus,3905585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ohmineanus'],6,0,6.0 888,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus nishimuranus,3906451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus nishimuranus'],6,0,6.0 889,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum calthifolium,938597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum calthifolium'],6,0,6.0 890,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Filipendula camtschatica,5786340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula camtschatica'],6,0,6.0 891,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus parvifolius,1063551.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus parvifolius'],6,0,6.0 892,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-WZASNERQSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41?/m1/s1",O=C(OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.1025310800004,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,0,6.0 893,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 894,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 895,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-ANGOHYEVSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34-,35-,41+/m0/s1",O=C(O[C@H]1O[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 896,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-ANGOHYEVSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34-,35-,41+/m0/s1",O=C(O[C@H]1O[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 897,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa roxburghii,383285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa roxburghii'],6,0,6.0 898,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus hiraseanus,3907505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus hiraseanus'],6,0,6.0 899,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 900,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum aleppicum,77545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum aleppicum'],6,0,6.0 901,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus masakii,3905955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus masakii'],6,0,6.0 902,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus hirsutus,149322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus hirsutus'],6,0,6.0 903,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus ohmineanus,3905585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ohmineanus'],6,0,6.0 904,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus nishimuranus,3906451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus nishimuranus'],6,0,6.0 905,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum calthifolium,938597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum calthifolium'],6,0,6.0 906,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Filipendula camtschatica,5786340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula camtschatica'],6,0,6.0 907,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus parvifolius,1063551.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus parvifolius'],6,0,6.0 908,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 909,3630,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_2_2proton2acetonitrile,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 910,3628,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,KKUDXVSPSDPLGM-NVJIOZQYSA-N,"InChI=1S/C23H20O7/c1-15(24)28-20-18(29-22(26)17-10-6-3-7-11-17)12-13-19-23(20,30-19)14-27-21(25)16-8-4-2-5-9-16/h2-13,18-20H,14H2,1H3/t18-,19+,20+,23+/m1/s1",CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)C=C[C@@H]2O[C@@]21COC(=O)c1ccccc1,C23H20O7,pos_2MMg,408.12090298,KKUDXVSPSDPLGM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Micromeles ferruginea,7637458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Micromeles'],['Micromeles ferruginea'],7,1,7.5 911,3627,-1,,,,0.0,MS1_match,ZPPQIOUITZSYAO-AOBOYTTNSA-N,"InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1",[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H28O15,pos_1_1sodium,580.142820196,ZPPQIOUITZSYAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,0,7.0 912,3627,-1,,,,0.0,MS1_match,ZPPQIOUITZSYAO-AOBOYTTNSA-O,"InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C26H29O15+,pos_1_1sodium,581.1500966480899,ZPPQIOUITZSYAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 913,3626,-1,,,,0.7005074,ISDB,CXENHBSYCFFKJS-UHFFFAOYSA-N,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3",C=CC(C)=CCC=C(C)CCC=C(C)C,C15H24,,204.187800768,CXENHBSYCFFKJS,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,10.802029609680176 914,3625,-1,,,,0.0,MS1_match,KKLWTTVTWMTNBP-KYXYLJOWSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H22O10,pos_1_1proton1ethylamine,386.1212969039999,KKLWTTVTWMTNBP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 915,3625,-1,,,,0.0,MS1_match,KKLWTTVTWMTNBP-KYXYLJOWSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H22O10,pos_1_1proton1ethylamine,386.1212969039999,KKLWTTVTWMTNBP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 916,3622,77,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 917,3622,77,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 918,3621,320,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VCCRNZQBSJXYJD-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H",O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,VCCRNZQBSJXYJD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 919,3619,640,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 920,3619,640,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 921,3618,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ammonium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,8.5 922,3618,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ammonium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 923,3616,297,,,,0.37624115,ISDB,,,,,,,LLTBEOWDOXBOEW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5049645900726318 924,3615,-1,,,,0.0,MS1_match,KBRCLNZPIXOEQJ-ZIFCJYIRSA-N,"InChI=1S/C20H20O10/c1-28-20(27)17(8-18(25)26)29-16-7-11-13(23)5-10(21)6-15(11)30-19(16)9-2-3-12(22)14(24)4-9/h2-6,16-17,19,21-24H,7-8H2,1H3,(H,25,26)/t16-,17+,19-/m1/s1",COC(=O)[C@H](CC(=O)O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1,C20H20O10,pos_1_1sodium,420.10564684,KBRCLNZPIXOEQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 925,3614,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.26952916,ISDB,XIDXTKPMMNRXAU-OAHLLOKOSA-N,"InChI=1S/C15H20O2/c1-10(2)12-7-9-15(3)8-6-11(14(16)17)4-5-13(12)15/h6H,1,4-5,7-9H2,2-3H3,(H,16,17)/t15-/m1/s1",C=C(C)C1=C2CCC(C(=O)O)=CC[C@]2(C)CC1,C15H20O2,,232.14632988,XIDXTKPMMNRXAU,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,1,7.5781166553497314 926,3613,133,Shikimates and Phenylpropanoids,Xanthones,Simple coumarins,0.0,MS1_match,VQWSIJRLYROCFW-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-10-6-7-11-8(15)4-3-5-9(11)19-13(7)14(18-2)12(10)16/h3-6,15-16H,1-2H3",COc1cc2c(oc3cccc(O)c32)c(OC)c1O,C14H12O5,pos_1_1proton1methanol,260.06847348400004,VQWSIJRLYROCFW,Polyketides,Xanthones,,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,2,8.0 927,3612,-1,,,,0.46929407,ISDB,KYRNFTRJARVVEU-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c1-4-2-6(8)9-5(4)3-7/h2-3,8H,1H3",Cc1cc(O)oc1C=O,C6H6O3,,126.031694052,KYRNFTRJARVVEU,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,7.877176284790039 928,3610,-1,,,,0.0,MS1_match,WHUUTDBJXJRKMK-VKHMYHEASA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",N[C@@H](CCC(=O)O)C(=O)O,C5H9NO4,pos_1_1proton1methanol,147.053157768,WHUUTDBJXJRKMK,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 929,3610,-1,,,,0.0,MS1_match,BJEPYKJPYRNKOW-REOHCLBHSA-N,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1",O=C(O)C[C@H](O)C(=O)O,C4H6O5,pos_1_1proton1ethylamine,134.021523292,BJEPYKJPYRNKOW,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 930,3610,-1,,,,0.0,MS1_match,BJEPYKJPYRNKOW-UHFFFAOYSA-N,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)",O=C(O)CC(O)C(=O)O,C4H6O5,pos_1_1proton1ethylamine,134.021523292,BJEPYKJPYRNKOW,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 931,3609,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,8.5 932,3609,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 933,3609,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,1,8.5 934,3608,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6835117,ISDB,NRXBNSBNWUANMF-WMASDFALSA-N,"InChI=1S/C24H22O12/c25-13-5-1-11(9-14(13)26)2-7-17(27)33-10-16-19(29)21(31)22(32)24(35-16)34-15-6-3-12-4-8-18(28)36-23(12)20(15)30/h1-9,16,19,21-22,24-26,29-32H,10H2/b7-2+/t16-,19-,21+,22-,24-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2ccc3ccc(=O)oc3c2O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O12,,502.111126144,NRXBNSBNWUANMF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cruciata taurica,221990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Rubieae'],['Cruciata'],['Cruciata taurica'],4,1,7.234046697616577 935,3607,-1,,,,0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ethylamine,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 936,3607,-1,,,,0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ethylamine,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 937,3607,-1,,,,0.0,MS1_match,UBWUZHMCADSLDT-SOHRVHQUSA-N,"InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C21H36O8,pos_1_1proton1acetonitrile,416.241018112,UBWUZHMCADSLDT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 938,3606,321,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.87699455,ISDB,VIPCJCSVYZTPBA-MBXSJXQWSA-N,"InChI=1S/C28H30O16/c1-28(39,8-18(32)33)9-19(34)41-10-17-21(35)23(37)24(38)27(43-17)44-26-22(36)20-15(31)6-12(40-2)7-16(20)42-25(26)11-3-4-13(29)14(30)5-11/h3-7,17,21,23-24,27,29-31,35,37-39H,8-10H2,1-2H3,(H,32,33)/t17-,21-,23+,24-,27+,28+/m1/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C28H30O16,,622.15338488,VIPCJCSVYZTPBA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Oxytropis racemosa,1072930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Oxytropis'],['Oxytropis racemosa'],4,3,9.007978200912476 939,3605,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,YGNDHZPKLQTLBF-LOYVVIFBSA-N,"InChI=1S/C21H26O10/c1-27-12-7-5-4-6-10(12)11-8-13(28-2)16(24)20(29-3)19(11)31-21-18(26)17(25)15(23)14(9-22)30-21/h4-8,14-15,17-18,21-26H,9H2,1-3H3/t14-,15-,17+,18-,21+/m1/s1",COc1ccccc1-c1cc(OC)c(O)c(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H26O10,pos_1_1proton1isopropanol,438.1525970319999,YGNDHZPKLQTLBF,Shikimates and Phenylpropanoids,,,Pyracantha fortuneana,873501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha fortuneana'],7,0,7.0 940,3604,-1,,,,0.0,MS1_match,ZZTOVZGFHZQEAT-FBEISHDNSA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-3-8(1-2-11(15)24)20-13(26)6-10-12(25)4-9(23)5-14(10)30-20/h1-5,13,16-29H,6-7H2/t13-,16+,17+,18-,19+,20+,21+/m0/s1",OC[C@H]1O[C@@H](Oc2cc([C@H]3Oc4cc(O)cc(O)c4C[C@@H]3O)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O11,pos_1_1proton1ammonium,452.131861588,ZZTOVZGFHZQEAT,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],8,0,8.0 941,3604,-1,,,,0.0,MS1_match,YOVYWMDLYSJYPO-UHFFFAOYSA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-5,15-29H,6-7H2",OCC1OC(OC2Cc3c(O)cc(O)cc3OC2c2ccc(O)c(O)c2)C(O)C(O)C1O,C21H24O11,pos_1_1proton1ammonium,452.131861588,YOVYWMDLYSJYPO,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],8,0,8.0 942,3604,-1,,,,0.0,MS1_match,YOVYWMDLYSJYPO-UHFFFAOYSA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-5,15-29H,6-7H2",OCC1OC(OC2Cc3c(O)cc(O)cc3OC2c2ccc(O)c(O)c2)C(O)C(O)C1O,C21H24O11,pos_1_1proton1ammonium,452.131861588,YOVYWMDLYSJYPO,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],8,0,8.0 943,3603,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.221574,ISDB,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,9.386295974254608 944,3603,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.221574,ISDB,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,9.386295974254608 945,3602,-1,,,,0.0,MS1_match,LLENXGNWVNSBQG-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1isopropanol,636.096263928,LLENXGNWVNSBQG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 946,3602,-1,,,,0.0,MS1_match,MACFXELYCBWKGT-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1isopropanol,636.0962639279999,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 947,3602,-1,,,,0.0,MS1_match,MACFXELYCBWKGT-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1isopropanol,636.0962639279999,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 948,3602,-1,,,,0.0,MS1_match,MACFXELYCBWKGT-UHFFFAOYSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2",O=C(OC1OC(CO)C(O)C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1isopropanol,636.096263928,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 949,3602,-1,,,,0.0,MS1_match,MACFXELYCBWKGT-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1isopropanol,636.0962639279999,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 950,3602,-1,,,,0.0,MS1_match,MACFXELYCBWKGT-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1isopropanol,636.0962639279999,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 951,3602,-1,,,,0.0,MS1_match,MACFXELYCBWKGT-UHFFFAOYSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2",O=C(OC1OC(CO)C(O)C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1isopropanol,636.096263928,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 952,3602,-1,,,,0.0,MS1_match,KCQFLGUEZXYOER-KQBVCUEBSA-N,"InChI=1S/C27H24O18/c28-12-1-9(2-13(29)19(12)34)23(37)42-7-18-22(45-25(39)11-5-16(32)21(36)17(33)6-11)27(41,26(40)44-18)8-43-24(38)10-3-14(30)20(35)15(31)4-10/h1-6,18,22,26,28-36,40-41H,7-8H2/t18-,22-,26-,27-/m1/s1",O=C(OC[C@H]1O[C@@H](O)[C@@](O)(COC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1isopropanol,636.096263928,KCQFLGUEZXYOER,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 953,3601,101,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7283834,ISDB,LWODEYSGYGBVMU-PBIHKJQESA-N,"InChI=1S/C26H28O15/c1-36-15-3-2-9(4-11(15)28)22-24(19(33)17-12(29)5-10(27)6-16(17)39-22)41-26-21(35)23(14(31)8-38-26)40-25-20(34)18(32)13(30)7-37-25/h2-6,13-14,18,20-21,23,25-32,34-35H,7-8H2,1H3/t13-,14-,18+,20-,21-,23+,25+,26+/m1/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)cc1O,C26H28O15,,580.142820196,LWODEYSGYGBVMU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus galegiformis,530209.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus malacophyllus'],4,3,8.413533687591553 954,3600,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.28733647,ISDB,XIDXTKPMMNRXAU-OAHLLOKOSA-N,"InChI=1S/C15H20O2/c1-10(2)12-7-9-15(3)8-6-11(14(16)17)4-5-13(12)15/h6H,1,4-5,7-9H2,2-3H3,(H,16,17)/t15-/m1/s1",C=C(C)C1=C2CCC(C(=O)O)=CC[C@]2(C)CC1,C15H20O2,,232.14632988,XIDXTKPMMNRXAU,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,1,7.649345874786377 955,3598,321,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9368306,ISDB,FMMBDZGNMFRGMV-RKSFUGBBSA-N,"InChI=1S/C27H28O16/c1-27(39,7-17(32)33)8-18(34)40-9-16-20(35)22(37)23(38)26(42-16)43-25-21(36)19-14(31)5-11(28)6-15(19)41-24(25)10-2-3-12(29)13(30)4-10/h2-6,16,20,22-23,26,28-31,35,37-39H,7-9H2,1H3,(H,32,33)/t16-,20-,22+,23-,26+,27-/m1/s1",C[C@@](O)(CC(=O)O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C27H28O16,,608.137734816,FMMBDZGNMFRGMV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],4,3,9.24732232093811 956,3597,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ethylamine,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,8.5 957,3597,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ethylamine,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 958,3596,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.73759216,ISDB,RSVUVHWOGWOXAY-ZHQBJIHKSA-N,"InChI=1S/C15H22O3/c1-10-5-4-6-11(2)9-14(16)13(8-7-10)12(3)15(17)18/h6-7,13-14,16H,3-5,8-9H2,1-2H3,(H,17,18)/b10-7+,11-6?/t13-,14-/m1/s1",C=C(C(=O)O)[C@H]1C/C=C(\C)CCC=C(C)C[C@H]1O,C15H22O3,,250.156894564,RSVUVHWOGWOXAY,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,1,7.450368642807007 959,3594,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ammonium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 960,3594,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ammonium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 961,3593,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IYXQRCXQQWUFQV-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)",O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)(C(=O)O)CC1O,C25H24O12,pos_1_1proton,516.1267762079999,IYXQRCXQQWUFQV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 962,3593,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IYXQRCXQQWUFQV-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)",O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)(C(=O)O)CC1O,C25H24O12,pos_1_1proton,516.1267762079999,IYXQRCXQQWUFQV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 963,3593,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IYXQRCXQQWUFQV-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)",O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)(C(=O)O)CC1O,C25H24O12,pos_1_1proton,516.1267762079999,IYXQRCXQQWUFQV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 964,3592,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 965,3592,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,8.5 966,3591,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.3335517,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula sandai,920655.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula sandai'],1,3,3.8342068195343018 967,3591,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.3335517,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Crassostrea gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,3.8342068195343018 968,3591,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.3335517,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Magallana gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,3.8342068195343018 969,3591,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.3335517,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula japonica,920654.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula japonica'],1,3,3.8342068195343018 970,3588,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7032216,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,1,11.312886476516724 971,3588,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7032216,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,11.312886476516724 972,3588,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7032216,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,11.312886476516724 973,3587,-1,,,,0.0,MS1_match,CRSFLLTWRCYNNX-YJDQBUFVSA-N,"InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12-,13-,16+/m1/s1",COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1O,C16H18O10,pos_2MNa,370.089996776,CRSFLLTWRCYNNX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 974,3587,-1,,,,0.0,MS1_match,CRSFLLTWRCYNNX-YJDQBUFVSA-N,"InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12-,13-,16+/m1/s1",COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1O,C16H18O10,pos_2MNa,370.089996776,CRSFLLTWRCYNNX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 975,3587,-1,,,,0.0,MS1_match,YGUOVYPTEHMXAZ-HMXKMONRSA-N,"InChI=1S/C16H18O10/c1-23-14-6-2-3-10(19)24-8(6)4-7(18)15(14)26-16-13(22)12(21)11(20)9(5-17)25-16/h2-4,9,11-13,16-18,20-22H,5H2,1H3/t9-,11-,12+,13-,16+/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)cc2oc(=O)ccc12,C16H18O10,pos_2MNa,370.089996776,YGUOVYPTEHMXAZ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 976,3585,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ethylamine,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,8.5 977,3585,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1proton1ethylamine,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 978,3582,493,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,0.0,MS1_match,OFUWGCQDMVDLIR-UHFFFAOYSA-N,"InChI=1S/C22H22O10/c1-29-12-6-14(24)17-15(7-12)30-9-13(18(17)25)10-2-4-11(5-3-10)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3",COc1cc(O)c2c(=O)c(-c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)coc2c1,C22H22O10,pos_1_1sodium,446.121296904,OFUWGCQDMVDLIR,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus,731578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Unknown'],8,3,9.5 979,3582,493,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,0.0,MS1_match,AJAGLPDYKVWJQE-AREMEKFRSA-N,"InChI=1S/C22H22O10/c1-29-12-6-14-17(18(25)13(9-30-14)10-2-4-11(24)5-3-10)15(7-12)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22?/m0/s1",COc1cc(OC2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C22H22O10,pos_1_1sodium,446.121296904,AJAGLPDYKVWJQE,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,3,9.5 980,3582,493,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,0.0,MS1_match,OFUWGCQDMVDLIR-UHFFFAOYSA-N,"InChI=1S/C22H22O10/c1-29-12-6-14(24)17-15(7-12)30-9-13(18(17)25)10-2-4-11(5-3-10)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3",COc1cc(O)c2c(=O)c(-c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)coc2c1,C22H22O10,pos_1_1sodium,446.121296904,OFUWGCQDMVDLIR,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus,731578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Unknown'],8,3,9.5 981,3582,493,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,0.0,MS1_match,AJAGLPDYKVWJQE-AREMEKFRSA-N,"InChI=1S/C22H22O10/c1-29-12-6-14-17(18(25)13(9-30-14)10-2-4-11(24)5-3-10)15(7-12)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22?/m0/s1",COc1cc(OC2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C22H22O10,pos_1_1sodium,446.121296904,AJAGLPDYKVWJQE,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 982,3582,493,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,0.0,MS1_match,AJAGLPDYKVWJQE-RECXWPGBSA-N,"InChI=1S/C22H22O10/c1-29-12-6-14-17(18(25)13(9-30-14)10-2-4-11(24)5-3-10)15(7-12)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C22H22O10,pos_1_1sodium,446.121296904,AJAGLPDYKVWJQE,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 983,3581,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.76088315,ISDB,WCVUIHQUPRXYKT-RGCIIANRSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18?/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,0,7.043532609939575 984,3581,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.76088315,ISDB,WCVUIHQUPRXYKT-GWQNOCNDSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Helichrysum arenarium,338550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum arenarium'],4,0,7.043532609939575 985,3581,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.76088315,ISDB,WCVUIHQUPRXYKT-GWQNOCNDSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],4,0,7.043532609939575 986,3581,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.76088315,ISDB,WCVUIHQUPRXYKT-UHFFFAOYSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)",Cc1occc(=O)c1OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Genista numidica,1022926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Genista'],['Genista numidica'],4,0,7.043532609939575 987,3581,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.76088315,ISDB,WCVUIHQUPRXYKT-UHFFFAOYSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)",Cc1occc(=O)c1OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Ononis arvensis,1072859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis arvensis'],4,0,7.043532609939575 988,3581,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.76088315,ISDB,WCVUIHQUPRXYKT-UHFFFAOYSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)",Cc1occc(=O)c1OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Herniaria glabra,300043.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Paronychieae'],['Herniaria'],['Herniaria glabra'],4,0,7.043532609939575 989,3580,392,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1sodium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,1,7.5 990,3580,392,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,PMGQCIZHFNQTAO-LWJKYDNQSA-N,"InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H32O8,pos_1_1sodium,412.209717984,PMGQCIZHFNQTAO,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,1,7.5 991,3579,640,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JQUOIYCKIVRFRH-ZZXAPCEGSA-N,"InChI=1S/C26H32O16/c27-7-16-18(31)20(33)22(35)25(41-16)39-14-4-1-10(5-13(14)30)9-38-24(37)11-2-3-12(29)15(6-11)40-26-23(36)21(34)19(32)17(8-28)42-26/h1-6,16-23,25-36H,7-9H2/t16-,17+,18-,19+,20+,21-,22-,23+,25-,26+/m1/s1",O=C(OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1)c1ccc(O)c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1,C26H32O16,pos_1_minus1proton2sodium,600.169034944,JQUOIYCKIVRFRH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],7,1,7.5 992,3578,321,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5746602,ISDB,,,,,,,JAYUAZPUDBDWNI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.298640727996826 993,3576,321,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8749178,ISDB,VIPCJCSVYZTPBA-MBXSJXQWSA-N,"InChI=1S/C28H30O16/c1-28(39,8-18(32)33)9-19(34)41-10-17-21(35)23(37)24(38)27(43-17)44-26-22(36)20-15(31)6-12(40-2)7-16(20)42-25(26)11-3-4-13(29)14(30)5-11/h3-7,17,21,23-24,27,29-31,35,37-39H,8-10H2,1-2H3,(H,32,33)/t17-,21-,23+,24-,27+,28+/m1/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C28H30O16,,622.15338488,VIPCJCSVYZTPBA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Oxytropis racemosa,1072930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Oxytropis'],['Oxytropis racemosa'],4,3,8.999671220779419 994,3575,467,Alkaloids,Tryptophan alkaloids,Simple oxindole alkaloids,0.0,MS1_match,DNQQEEOKVVSMQI-JZTLDUIISA-N,"InChI=1S/C16H19NO9/c18-6-9-11(21)12(22)13(23)14(25-9)26-16(5-10(19)20)7-3-1-2-4-8(7)17-15(16)24/h1-4,9,11-14,18,21-23H,5-6H2,(H,17,24)(H,19,20)/t9-,11-,12+,13-,14+,16-/m1/s1",O=C(O)C[C@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)Nc2ccccc21,C16H19NO9,pos_2MFe,369.105981188,DNQQEEOKVVSMQI,Alkaloids,Tryptophan alkaloids,Simple oxindole alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 995,3573,321,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CRSFLLTWRCYNNX-YJDQBUFVSA-N,"InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12-,13-,16+/m1/s1",COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1O,C16H18O10,pos_2MH,370.089996776,CRSFLLTWRCYNNX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,8.5 996,3573,321,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CRSFLLTWRCYNNX-YJDQBUFVSA-N,"InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12-,13-,16+/m1/s1",COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1O,C16H18O10,pos_2MH,370.089996776,CRSFLLTWRCYNNX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,8.5 997,3573,321,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YGUOVYPTEHMXAZ-HMXKMONRSA-N,"InChI=1S/C16H18O10/c1-23-14-6-2-3-10(19)24-8(6)4-7(18)15(14)26-16-13(22)12(21)11(20)9(5-17)25-16/h2-4,9,11-13,16-18,20-22H,5H2,1H3/t9-,11-,12+,13-,16+/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)cc2oc(=O)ccc12,C16H18O10,pos_2MH,370.089996776,YGUOVYPTEHMXAZ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,8.5 998,3572,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,QLZMOQILAYMPIF-MIUGBVLSSA-N,"InChI=1S/C22H22O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C22H22O10,pos_1_1proton,446.1212969039999,QLZMOQILAYMPIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,2,9.0 999,3572,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,QLZMOQILAYMPIF-MIUGBVLSSA-N,"InChI=1S/C22H22O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C22H22O10,pos_1_1proton,446.1212969039999,QLZMOQILAYMPIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,2,9.0 1000,3572,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,QLZMOQILAYMPIF-MIUGBVLSSA-N,"InChI=1S/C22H22O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C22H22O10,pos_1_1proton,446.1212969039999,QLZMOQILAYMPIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,2,9.0 1001,3572,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,QLZMOQILAYMPIF-MIUGBVLSSA-N,"InChI=1S/C22H22O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C22H22O10,pos_1_1proton,446.1212969039999,QLZMOQILAYMPIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,2,9.0 1002,3572,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,QLZMOQILAYMPIF-MIUGBVLSSA-N,"InChI=1S/C22H22O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C22H22O10,pos_1_1proton,446.1212969039999,QLZMOQILAYMPIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,2,9.0 1003,3572,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,QLZMOQILAYMPIF-MIUGBVLSSA-N,"InChI=1S/C22H22O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C22H22O10,pos_1_1proton,446.1212969039999,QLZMOQILAYMPIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,2,9.0 1004,3571,321,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.65277237,ISDB,LBWBQACKWAITFN-UYCSNVJISA-N,"InChI=1S/C33H38O20/c1-32(45,8-20(38)39)9-21(40)48-10-19-23(41)25(43)28(53-31-29(44)33(46,11-34)12-49-31)30(51-19)52-27-24(42)22-17(37)6-14(47-2)7-18(22)50-26(27)13-3-4-15(35)16(36)5-13/h3-7,19,23,25,28-31,34-37,41,43-46H,8-12H2,1-2H3,(H,38,39)/t19-,23+,25+,28-,29+,30+,31+,32+,33-/m1/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C33H38O20,,754.195643616,LBWBQACKWAITFN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus huetii,754108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus caprinus'],4,3,8.11108946800232 1005,3570,-1,,,,0.0,MS1_match,JPMYFOBNRRGFNO-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C16H12O5,pos_1_1proton,284.068473484,JPMYFOBNRRGFNO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,0,8.0 1006,3570,-1,,,,0.0,MS1_match,JPMYFOBNRRGFNO-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C16H12O5,pos_1_1proton,284.068473484,JPMYFOBNRRGFNO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,0,8.0 1007,3570,-1,,,,0.0,MS1_match,JPMYFOBNRRGFNO-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C16H12O5,pos_1_1proton,284.068473484,JPMYFOBNRRGFNO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,0,8.0 1008,3570,-1,,,,0.0,MS1_match,WUADCCWRTIWANL-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3",COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,C16H12O5,pos_1_1proton,284.068473484,WUADCCWRTIWANL,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 1009,3570,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,0,8.0 1010,3570,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,0,8.0 1011,3570,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 1012,3570,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 1013,3570,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 1014,3570,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,0,8.0 1015,3569,336,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 1016,3569,336,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 1017,3569,336,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 1018,3569,336,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 1019,3569,336,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 1020,3569,336,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 1021,3569,336,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 1022,3569,336,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus doumeri,896368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus doumeri'],8,3,9.5 1023,3569,336,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus salicina,190311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus salicina'],8,3,9.5 1024,3569,336,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 1025,3569,336,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 1026,3567,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.22844665,ISDB,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,10.913786590099335 1027,3566,678,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XZRJEYQBLXDNNU-BFFMHGNPSA-N,"InChI=1S/C19H34O9/c1-10(27-16-15(24)14(23)13(22)12(9-20)28-16)5-6-19(26)17(2,3)7-11(21)8-18(19,4)25/h5-6,10-16,20-26H,7-9H2,1-4H3/b6-5+/t10-,11+,12+,13+,14-,15+,16+,18-,19-/m0/s1",C[C@@H](/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O9,pos_1_1sodium,406.220282668,XZRJEYQBLXDNNU,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,7.5 1028,3563,340,Amino acids and Peptides,Small peptides,Aminoacids,0.906062,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,14.124248027801514 1029,3561,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FWHJRKHBZLMKQW-DZLOKQDQSA-N,"InChI=1S/C16H20O9/c1-25-12-6-8(2-4-9(12)18)3-5-10(19)13(21)15(23)16(24)14(22)11(20)7-17/h2-6,11,14-18,20,22-24H,7H2,1H3/b5-3+/t11-,14-,15+,16+/m1/s1",COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H20O9,pos_1_1proton1ammonium,356.1107322199999,FWHJRKHBZLMKQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1030,3561,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ADHNTNYEJYJUCU-ZSJFXSENSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-15-14(21)13(20)11(7-17)24-16(15)22/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16?/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O,C16H20O9,pos_1_1proton1ammonium,356.11073222,ADHNTNYEJYJUCU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1031,3560,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.4377061,ISDB,,,,,,,VNBTYNQCNNUZPT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7508244514465332 1032,3559,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 1033,3559,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 1034,3555,646,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,BEEJZTKKIGKODU-NQLGLYBNSA-N,"InChI=1S/C54H88O25/c1-21-29(58)32(61)38(67)46(73-21)78-40-34(63)31(60)25(18-56)75-47(40)79-41-36(65)35(64)39(44(70)71)77-48(41)76-28-11-12-51(4)26(52(28,5)19-57)10-13-54(7)27(51)9-8-22-23-16-49(2,42(68)43(69)50(23,3)14-15-53(22,54)6)20-72-45-37(66)33(62)30(59)24(17-55)74-45/h8,21,23-43,45-48,55-69H,9-20H2,1-7H3,(H,70,71)/t21-,23-,24+,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36-,37+,38+,39-,40+,41+,42-,43+,45+,46-,47-,48+,49-,50+,51-,52+,53+,54+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5CC=C5[C@@H]7C[C@@](C)(CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@@H](O)[C@]7(C)CC[C@]56C)[C@@]4(C)CO)O[C@H](C(=O)O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C54H88O25,pos_2_1proton1potassium,1136.5614683160002,BEEJZTKKIGKODU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,3,7.5 1035,3555,646,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,BEEJZTKKIGKODU-NQLGLYBNSA-N,"InChI=1S/C54H88O25/c1-21-29(58)32(61)38(67)46(73-21)78-40-34(63)31(60)25(18-56)75-47(40)79-41-36(65)35(64)39(44(70)71)77-48(41)76-28-11-12-51(4)26(52(28,5)19-57)10-13-54(7)27(51)9-8-22-23-16-49(2,42(68)43(69)50(23,3)14-15-53(22,54)6)20-72-45-37(66)33(62)30(59)24(17-55)74-45/h8,21,23-43,45-48,55-69H,9-20H2,1-7H3,(H,70,71)/t21-,23-,24+,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36-,37+,38+,39-,40+,41+,42-,43+,45+,46-,47-,48+,49-,50+,51-,52+,53+,54+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5CC=C5[C@@H]7C[C@@](C)(CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@@H](O)[C@]7(C)CC[C@]56C)[C@@]4(C)CO)O[C@H](C(=O)O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C54H88O25,pos_2_1proton1potassium,1136.5614683160002,BEEJZTKKIGKODU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,3,7.5 1036,3554,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.49672464,ISDB,NIOHMVMTJUYICJ-CYBMUJFWSA-N,"InChI=1S/C14H22/c1-4-5-6-7-13(3)14-10-8-12(2)9-11-14/h4,8,10,13H,1,5-7,9,11H2,2-3H3/t13-/m1/s1",C=CCCC[C@@H](C)C1=CC=C(C)CC1,C14H22,,190.172150704,NIOHMVMTJUYICJ,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Senecio paludaffinis,6056968.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio paludaffinis'],4,3,7.4868985414505005 1037,3554,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.49672464,ISDB,NIOHMVMTJUYICJ-CYBMUJFWSA-N,"InChI=1S/C14H22/c1-4-5-6-7-13(3)14-10-8-12(2)9-11-14/h4,8,10,13H,1,5-7,9,11H2,2-3H3/t13-/m1/s1",C=CCCC[C@@H](C)C1=CC=C(C)CC1,C14H22,,190.172150704,NIOHMVMTJUYICJ,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Senecio digitalifolius,7609113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio digitalifolius'],4,3,7.4868985414505005 1038,3553,519,Fatty acids,Fatty esters,Wax monoesters,0.2907517,ISDB,AOGQPLXWSUTHQB-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3",CCCCCCOC(C)=O,C8H16O2,,144.115029752,AOGQPLXWSUTHQB,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,11.663006782531738 1039,3550,233,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1proton1ethylamine,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,3,7.5 1040,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 1041,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 1042,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 1043,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 1044,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 1045,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BBFYUPYFXSSMNV-HMGRVEAOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799997,BBFYUPYFXSSMNV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 1046,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 1047,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 1048,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus salicina,190311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus salicina'],8,3,9.5 1049,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 1050,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 1051,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 1052,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 1053,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 1054,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BBFYUPYFXSSMNV-HMGRVEAOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799997,BBFYUPYFXSSMNV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 1055,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 1056,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 1057,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 1058,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 1059,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 1060,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 1061,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 1062,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 1063,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 1064,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 1065,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 1066,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 1067,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 1068,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 1069,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 1070,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 1071,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 1072,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus salicina,190311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus salicina'],8,3,9.5 1073,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 1074,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 1075,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 1076,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 1077,3545,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus salicina,190311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus salicina'],8,3,9.5 1078,3544,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,PFNFFQXMRSDOHW-UHFFFAOYSA-N,"InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2",NCCCNCCCCNCCCN,C10H26N4,pos_1_1potassium,202.215746832,PFNFFQXMRSDOHW,Alkaloids,Ornithine alkaloids,Polyamines,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1079,3541,73,Terpenoids,Steroids,Cholestane steroids,0.34529567,ISDB,AMMKCVYTIVZBCS-XFRWUBLRSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h15-16,18-24,29H,7-14,17H2,1-6H3/t19-,20-,21+,22-,23-,24-,25-,26-,27-,28+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3,C28H46O3,,430.344695332,AMMKCVYTIVZBCS,Terpenoids,Steroids,Cholestane steroids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,6.881182670593262 1080,3541,73,Terpenoids,Steroids,Cholestane steroids,0.34529567,ISDB,AMMKCVYTIVZBCS-UHFFFAOYSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h15-16,18-24,29H,7-14,17H2,1-6H3",CC(C)C(C)CCC(C)C1CCC2C1(C)CCC1C23C=CC2(CC(O)CCC12C)OO3,C28H46O3,,430.344695332,AMMKCVYTIVZBCS,Terpenoids,Steroids,Cholestane steroids,Helianthus tuberosus,515709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus tuberosus'],4,3,6.881182670593262 1081,3540,-1,,,,0.2794616,ISDB,QUEDXNHFTDJVIY-DQCZWYHMSA-N,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1",Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2,C28H48O2,,416.3654307759999,QUEDXNHFTDJVIY,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,9.117846369743347 1082,3539,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1methanol,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 1083,3539,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1methanol,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 1084,3538,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.47110674,ISDB,VMYXUZSZMNBRCN-CQSZACIVSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1",CC(C)=CCC[C@@H](C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],5,3,8.384426951408386 1085,3538,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.47110674,ISDB,VMYXUZSZMNBRCN-AWEZNQCLSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m0/s1",CC(C)=CCC[C@H](C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],5,3,8.384426951408386 1086,3536,636,Shikimates and Phenylpropanoids,Polycyclic aromatic polyketides,Isoflavones,0.0,MS1_match,WUADCCWRTIWANL-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3",COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,C16H12O5,pos_1_1proton,284.068473484,WUADCCWRTIWANL,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 1087,3536,636,Shikimates and Phenylpropanoids,Polycyclic aromatic polyketides,Isoflavones,0.0,MS1_match,YSINCDVRUMTOPK-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-13-6-11(18)7-14-15(13)16(19)12(8-21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)cc2occ(-c3ccc(O)cc3)c(=O)c12,C16H12O5,pos_1_1proton,284.068473484,YSINCDVRUMTOPK,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Cotoneaster simonsii,3903153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster simonsii'],6,3,7.5 1088,3536,636,Shikimates and Phenylpropanoids,Polycyclic aromatic polyketides,Isoflavones,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],6,3,7.5 1089,3536,636,Shikimates and Phenylpropanoids,Polycyclic aromatic polyketides,Isoflavones,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],6,3,7.5 1090,3536,636,Shikimates and Phenylpropanoids,Polycyclic aromatic polyketides,Isoflavones,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,3,7.5 1091,3536,636,Shikimates and Phenylpropanoids,Polycyclic aromatic polyketides,Isoflavones,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 1092,3536,636,Shikimates and Phenylpropanoids,Polycyclic aromatic polyketides,Isoflavones,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],6,3,7.5 1093,3536,636,Shikimates and Phenylpropanoids,Polycyclic aromatic polyketides,Isoflavones,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],6,3,7.5 1094,3535,506,Terpenoids,Sesquiterpenoids,Cedrane and Isocedrane sesquiterpenoids,0.0,MS1_match,OERWDJCNWLSHGW-RIEGTJTDSA-N,"InChI=1S/C15H18O2/c1-14(2)10-3-4-11(8-16)15(7-10)12(9-17)5-6-13(14)15/h4-5,8-10,13H,3,6-7H2,1-2H3/t10-,13+,15-/m1/s1",CC1(C)[C@@H]2CC=C(C=O)[C@]3(C2)C(C=O)=CC[C@@H]13,C15H18O2,pos_1_1proton1isopropanol,230.130679816,OERWDJCNWLSHGW,Terpenoids,Sesquiterpenoids,Cedrane and Isocedrane sesquiterpenoids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,3,8.5 1095,3532,-1,,,,0.0,MS1_match,MROVETGJOLYNJI-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3",C=C(C)C1CCC2(C)C(=C(C)C(=O)CC2O)C1,C15H22O2,pos_1_1proton1methanol,234.161979944,MROVETGJOLYNJI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 1096,3532,-1,,,,0.0,MS1_match,MROVETGJOLYNJI-KCPJHIHWSA-N,"InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3/t11-,14-,15-/m1/s1",C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C(=O)C[C@H]2O)C1,C15H22O2,pos_1_1proton1methanol,234.161979944,MROVETGJOLYNJI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 1097,3529,-1,,,,0.0,MS1_match,IQXPQZPUERAWEQ-UHFFFAOYSA-N,"InChI=1S/C32H22O13/c1-41-16-11-19(36)26-24(12-16)45-31(29(39)28(26)38)13-3-5-20(17(34)7-13)43-21-6-4-14(8-22(21)42-2)32-30(40)27(37)25-18(35)9-15(33)10-23(25)44-32/h3-12,33-36,39-40H,1-2H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(Oc4ccc(-c5oc6cc(O)cc(O)c6c(=O)c5O)cc4OC)c(O)c3)oc2c1,C32H22O13,pos_3_2proton1sodium,614.106040764,IQXPQZPUERAWEQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Spiraea brahuica,5527789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea brahuica'],6,0,6.0 1098,3526,-1,,,,0.0,MS1_match,WLJVXDMOQOGPHL-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",O=C(O)Cc1ccccc1,C8H8O2,pos_1_1proton,136.052429496,WLJVXDMOQOGPHL,Shikimates and Phenylpropanoids,,,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 1099,3526,-1,,,,0.0,MS1_match,LPNBBFKOUUSUDB-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)",Cc1ccc(C(=O)O)cc1,C8H8O2,pos_1_1proton,136.052429496,LPNBBFKOUUSUDB,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 1100,3525,-1,,,,0.0,MS1_match,XMXGGPVFYCGIQV-LZWOXQAQSA-N,"InChI=1S/C16H26O4/c1-11(2)14(17)9-10-16(3,19)13-7-5-12(6-8-13)15(18)20-4/h5,13-14,17,19H,1,6-10H2,2-4H3/t13-,14+,16-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC=C(C(=O)OC)CC1,C16H26O4,pos_1_1proton1ethylamine,282.183109312,XMXGGPVFYCGIQV,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1101,3525,-1,,,,0.0,MS1_match,AAXHRFJECJMASC-ZVZLTRKCSA-N,"InChI=1S/C16H26O4/c1-15(2,18)10-5-11-16(3,19)13-8-6-12(7-9-13)14(17)20-4/h5-6,10,13,18-19H,7-9,11H2,1-4H3/b10-5+/t13-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC1,C16H26O4,pos_1_1proton1ethylamine,282.183109312,AAXHRFJECJMASC,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1102,3523,-1,,,,0.0,MS1_match,IQXPQZPUERAWEQ-UHFFFAOYSA-N,"InChI=1S/C32H22O13/c1-41-16-11-19(36)26-24(12-16)45-31(29(39)28(26)38)13-3-5-20(17(34)7-13)43-21-6-4-14(8-22(21)42-2)32-30(40)27(37)25-18(35)9-15(33)10-23(25)44-32/h3-12,33-36,39-40H,1-2H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(Oc4ccc(-c5oc6cc(O)cc(O)c6c(=O)c5O)cc4OC)c(O)c3)oc2c1,C32H22O13,pos_3_2proton1sodium,614.106040764,IQXPQZPUERAWEQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Spiraea brahuica,5527789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea brahuica'],6,0,6.0 1103,3521,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,XIDXTKPMMNRXAU-OAHLLOKOSA-N,"InChI=1S/C15H20O2/c1-10(2)12-7-9-15(3)8-6-11(14(16)17)4-5-13(12)15/h6H,1,4-5,7-9H2,2-3H3,(H,16,17)/t15-/m1/s1",C=C(C)C1=C2CCC(C(=O)O)=CC[C@]2(C)CC1,C15H20O2,pos_1_1proton1methanol,232.14632988,XIDXTKPMMNRXAU,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 1104,3518,-1,,,,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1sodium,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 1105,3518,-1,,,,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1sodium,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 1106,3515,-1,,,,0.0,MS1_match,BVXCYBXEGSWALE-BLGCMAGHSA-N,"InChI=1S/C26H40O6/c1-16(27)31-18-13-19-23(2,3)8-7-9-25(19,5)26-11-10-24(4,15-26)20(12-17(18)26)32-22(29)14-21(28)30-6/h17-20H,7-15H2,1-6H3/t17-,18+,19+,20-,24+,25+,26+/m1/s1",COC(=O)CC(=O)O[C@@H]1C[C@@H]2[C@@H](OC(C)=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3,C26H40O6,pos_1_1proton1ethylamine,448.282489,BVXCYBXEGSWALE,Terpenoids,Diterpenoids,Villanovane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 1107,3515,-1,,,,0.0,MS1_match,KHLDBCBSYZXYCX-NSUAHFFNSA-N,"InChI=1S/C28H44O6/c1-17(2)12-23(31)34-21-13-18-19(33-24(32)15-22(29)30)14-20-25(3,4)8-7-9-27(20,6)28(18)11-10-26(21,5)16-28/h17-21H,7-16H2,1-6H3,(H,29,30)/t18-,19+,20+,21-,26+,27+,28+/m1/s1",CC(C)CC(=O)O[C@@H]1C[C@@H]2[C@@H](OC(=O)CC(=O)O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3,C28H44O6,pos_1_1proton1ammonium,476.313789128,KHLDBCBSYZXYCX,Terpenoids,Diterpenoids,Villanovane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 1108,3514,118,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,UBWUZHMCADSLDT-SOHRVHQUSA-N,"InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C21H36O8,pos_1_1proton1ammonium,416.241018112,UBWUZHMCADSLDT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,7.5 1109,3513,827,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,SXYZSPUAXKAFMK-KVBUJQIHSA-N,"InChI=1S/C22H38O13/c1-10(6-7-32-21-18(29)16(27)14(25)12(8-23)33-21)4-3-5-11(2)20(31)35-22-19(30)17(28)15(26)13(9-24)34-22/h5,10,12-19,21-30H,3-4,6-9H2,1-2H3/b11-5+/t10-,12-,13-,14-,15-,16+,17+,18-,19-,21-,22+/m1/s1",C/C(=C\CC[C@@H](C)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H38O13,pos_1_1potassium,510.231241276,SXYZSPUAXKAFMK,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,3,7.5 1110,3512,287,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.92132187,ISDB,OIUBYZLTFSLSBY-HMGRVEAOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,,464.0954760799998,OIUBYZLTFSLSBY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,12.185287475585938 1111,3509,-1,,,,0.0,MS1_match,UZKQTCBAMSWPJD-FARCUNLSSA-N,"InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+",C/C(=C\CNc1nc[nH]c2ncnc1-2)CO,C10H13N5O,pos_1_1proton1acetonitrile,219.112010036,UZKQTCBAMSWPJD,Alkaloids,Pseudoalkaloids,Purine alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 1112,3508,-1,,,,0.0,MS1_match,JAELLLITIZHOGQ-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-5-6(8)9-7(2,3)4/h5H2,1-4H3",CCC(=O)OC(C)(C)C,C7H14O2,pos_2MHCH3CN,130.099379688,JAELLLITIZHOGQ,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1113,3508,-1,,,,0.0,MS1_match,HUAZGNHGCJGYNP-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3",CCCOC(=O)CCC,C7H14O2,pos_2MHCH3CN,130.099379688,HUAZGNHGCJGYNP,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1114,3508,-1,,,,0.0,MS1_match,YYLLIJHXUHJATK-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3",CC(=O)OC1CCCCC1,C8H14O2,pos_2MHNH3,142.099379688,YYLLIJHXUHJATK,,,,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1115,3508,-1,,,,0.0,MS1_match,PGMYKACGEOXYJE-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3",CCCCCOC(C)=O,C7H14O2,pos_2MHCH3CN,130.099379688,PGMYKACGEOXYJE,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1116,3508,-1,,,,0.0,MS1_match,NPFVOOAXDOBMCE-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3",CCC=CCCOC(C)=O,C8H14O2,pos_2MHNH3,142.099379688,NPFVOOAXDOBMCE,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1117,3504,-1,,,,0.0,MS1_match,XIDXTKPMMNRXAU-OAHLLOKOSA-N,"InChI=1S/C15H20O2/c1-10(2)12-7-9-15(3)8-6-11(14(16)17)4-5-13(12)15/h6H,1,4-5,7-9H2,2-3H3,(H,16,17)/t15-/m1/s1",C=C(C)C1=C2CCC(C(=O)O)=CC[C@]2(C)CC1,C15H20O2,pos_1_1proton1isopropanol,232.14632988,XIDXTKPMMNRXAU,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1118,3504,-1,,,,0.0,MS1_match,GHUAFOWOMHKWSH-KKUMJFAQSA-N,"InChI=1S/C15H20O2/c1-11(2)14-9-8-13(3)6-4-12(10-16)5-7-15(13,14)17-14/h4-6,10-11H,7-9H2,1-3H3/t13-,14-,15-/m0/s1",CC(C)[C@@]12CC[C@]3(C)C=CC(C=O)=CC[C@]31O2,C15H20O2,pos_1_1proton1isopropanol,232.14632988,GHUAFOWOMHKWSH,Terpenoids,,,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1119,3502,-1,,,,0.0,MS1_match,OXXHDKUBYIJFLV-SMYKEERYSA-N,"InChI=1S/C30H44O4/c1-18(2)9-8-14-29(7)24-21(31)17-28(6)20-10-11-22-26(3,4)23(32)13-15-27(22,5)19(20)12-16-30(24,28)25(33)34-29/h10,19,22-24,32H,1,8-9,11-17H2,2-7H3/t19-,22+,23+,24-,27-,28+,29+,30-/m1/s1",C=C(C)CCC[C@]1(C)OC(=O)[C@]23CC[C@@H]4C(=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC(=O)[C@@H]31,C30H44O4,pos_2MMg,468.323959888,OXXHDKUBYIJFLV,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 1120,3500,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],6,0,6.0 1121,3500,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 1122,3500,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 1123,3500,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Cotoneaster simonsii,3903153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster simonsii'],6,0,6.0 1124,3500,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Cotoneaster integrifolius,3903158.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster integrifolius'],6,0,6.0 1125,3500,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Cotoneaster symondsii,3903129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster symondsii'],6,0,6.0 1126,3500,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,0,6.0 1127,3500,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,0,6.0 1128,3500,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 1129,3500,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 1130,3500,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],6,0,6.0 1131,3500,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,0,6.0 1132,3500,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],6,0,6.0 1133,3498,-1,,,,0.63432384,ISDB,BYDQKMZEOZVIJM-ZGCJARKRSA-N,"InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5-,12-9-",C/C=C\C=C1\C(C)=CCCC1(C)C,C13H20,,176.15650064,BYDQKMZEOZVIJM,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],4,0,6.537295341491699 1134,3497,-1,,,,0.0,MS1_match,XOFDOXJFXCEFDE-CYBMUJFWSA-N,"InChI=1S/C13H18/c1-10-6-7-11-12(2,3)8-5-9-13(10,11)4/h5-7,9H,8H2,1-4H3/t13-/m1/s1",CC1=CC=C2C(C)(C)CC=C[C@]12C,C13H18,pos_1_1proton1methanol,174.140850576,XOFDOXJFXCEFDE,Terpenoids,Monoterpenoids,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 1135,3496,120,Terpenoids,Triterpenoids,Eudesmane sesquiterpenoids,0.70996493,ISDB,OWZSHJKGKHTKDS-BBRMVZONSA-N,"InChI=1S/C16H24O2/c1-11-6-5-8-16(3)9-7-13(10-14(11)16)12(2)15(17)18-4/h13H,2,5-10H2,1,3-4H3/t13-,16-/m0/s1",C=C(C(=O)OC)[C@H]1CC[C@]2(C)CCCC(C)=C2C1,C16H24O2,,248.177630008,OWZSHJKGKHTKDS,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Tessaria absinthioides,5739554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Tessaria'],['Tessaria absinthioides'],4,3,8.3398597240448 1136,3495,-1,,,,0.81581706,ISDB,WHOZNOZYMBRCBL-OUKQBFOZSA-N,"InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h12-14H,2-11H2,1H3/b13-12+",CCCCCCCCCCC/C=C/C=O,C14H26O,,210.198365452,WHOZNOZYMBRCBL,Fatty acids,Fatty acyls,Fatty aldehydes,Pelargonium endlicherianum,551608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Geraniales'],['Geraniaceae'],['Unknown'],['Pelargonium'],['Pelargonium endlicherianum'],4,0,7.263268232345581 1137,3495,-1,,,,0.81581706,ISDB,WHOZNOZYMBRCBL-UHFFFAOYSA-N,"InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h12-14H,2-11H2,1H3",CCCCCCCCCCCC=CC=O,C14H26O,,210.198365452,WHOZNOZYMBRCBL,Fatty acids,Fatty acyls,Fatty aldehydes,Leonurus japonicus,544692.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Leonureae'],['Leonurus'],['Leonurus japonicus'],4,0,7.263268232345581 1138,3494,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,XIDXTKPMMNRXAU-OAHLLOKOSA-N,"InChI=1S/C15H20O2/c1-10(2)12-7-9-15(3)8-6-11(14(16)17)4-5-13(12)15/h6H,1,4-5,7-9H2,2-3H3,(H,16,17)/t15-/m1/s1",C=C(C)C1=C2CCC(C(=O)O)=CC[C@]2(C)CC1,C15H20O2,pos_1_1proton1methanol,232.14632988,XIDXTKPMMNRXAU,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 1139,3492,-1,,,,0.0,MS1_match,QUEDXNHFTDJVIY-DQCZWYHMSA-N,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1",Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2,C28H48O2,pos_2_2proton2acetonitrile,416.3654307759999,QUEDXNHFTDJVIY,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 1140,3492,-1,,,,0.0,MS1_match,WGVKWNUPNGFDFJ-DQCZWYHMSA-N,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1",Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2,C28H48O2,pos_2_2proton2acetonitrile,416.3654307759999,WGVKWNUPNGFDFJ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 1141,3492,-1,,,,0.0,MS1_match,QUEDXNHFTDJVIY-DQCZWYHMSA-N,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1",Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2,C28H48O2,pos_2_2proton2acetonitrile,416.3654307759999,QUEDXNHFTDJVIY,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 1142,3492,-1,,,,0.0,MS1_match,WGVKWNUPNGFDFJ-DQCZWYHMSA-N,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1",Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2,C28H48O2,pos_2_2proton2acetonitrile,416.3654307759999,WGVKWNUPNGFDFJ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 1143,3491,577,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,GDVRUDXLQBVIKP-UHFFFAOYSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2",O=C(OC1OC(CO)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton1ammonium,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 1144,3491,577,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FUUSOIOWAGMHTM-HSQZMIOISA-N,"InChI=1S/C13H16O10/c14-3-6-9(18)10(19)11(20)13(22-6)23-12(21)4-1-2-5(15)8(17)7(4)16/h1-2,6,9-11,13-20H,3H2/t6-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)c(O)c1O,C13H16O10,pos_1_1proton1ammonium,332.074346712,FUUSOIOWAGMHTM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 1145,3490,-1,,,,0.0,MS1_match,ZCNREQTVGGXJTO-YEEDDRBPSA-N,"InChI=1S/C18H32O10/c1-3-4-5-6-7-25-17-16(24)14(22)12(20)10(28-17)8-26-18-15(23)13(21)11(19)9(2)27-18/h4-5,9-24H,3,6-8H2,1-2H3/t9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1",CCC=CCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H32O10,pos_1_minus1proton2potassium,408.199547224,ZCNREQTVGGXJTO,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 1146,3490,-1,,,,0.0,MS1_match,PXUSIRLRGCIABE-CMTNUJDWSA-N,"InChI=1S/C41H54O23/c42-8-13-5-18(27(50)31(54)25(13)48)61-37-20(10-44)63-40(35(58)33(37)56)23-29(52)22-16(47)7-17(12-1-3-15(46)4-2-12)60-39(22)24(30(23)53)41-36(59)34(57)38(21(11-45)64-41)62-19-6-14(9-43)26(49)32(55)28(19)51/h1-4,7,13-14,18-21,25-28,31-38,40-46,48-59H,5-6,8-11H2/t13-,14-,18?,19?,20-,21-,25-,26-,27+,28+,31+,32+,33-,34-,35-,36-,37-,38-,40?,41?/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c(C3O[C@H](CO)[C@@H](OC4C[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c(O)c(C3O[C@H](CO)[C@@H](OC4C[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c(O)c12,C41H54O23,pos_2_1iron,914.305587988,PXUSIRLRGCIABE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cotoneaster orbicularis,3903052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster orbicularis'],7,0,7.0 1147,3487,-1,,,,0.0,MS1_match,QEQHVGFOGHYBSV-XBZSYFKRSA-N,"InChI=1S/C32H50O7/c1-18-11-14-32(26(36)39-8)16-15-28(3)19(23(32)31(18,6)37)9-10-21-27(2)17-20(33)24(34)30(5,25(35)38-7)22(27)12-13-29(21,28)4/h9,18,20-24,33-34,37H,10-17H2,1-8H3/t18-,20-,21-,22-,23-,24+,27-,28-,29-,30-,31-,32+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)OC)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C32H50O7,pos_2MFe,546.3556539399998,QEQHVGFOGHYBSV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus xanthocarpus,3907075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus xanthocarpus'],6,0,6.0 1148,3486,-1,,,,0.31268692,ISDB,BXOCHUWSGYYSFW-HVWOQQCMSA-N,"InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,15,16)/b5-4+,7-6-,11-10+",C/C=C/C=C\CC/C=C/C(=O)NCC(C)C,C14H23NO,,221.177964356,BXOCHUWSGYYSFW,Fatty acids,Fatty amides,N-acyl amines,Spilanthes acmella,947138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Blainvillea'],['Blainvillea acmella'],4,0,5.2507476806640625 1149,3486,-1,,,,0.31268692,ISDB,BXOCHUWSGYYSFW-HVWOQQCMSA-N,"InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,15,16)/b5-4+,7-6-,11-10+",C/C=C/C=C\CC/C=C/C(=O)NCC(C)C,C14H23NO,,221.177964356,BXOCHUWSGYYSFW,Fatty acids,Fatty amides,N-acyl amines,Heliopsis longipes,243052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Heliopsis'],['Heliopsis longipes'],4,0,5.2507476806640625 1150,3486,-1,,,,0.31268692,ISDB,BXOCHUWSGYYSFW-HVWOQQCMSA-N,"InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,15,16)/b5-4+,7-6-,11-10+",C/C=C/C=C\CC/C=C/C(=O)NCC(C)C,C14H23NO,,221.177964356,BXOCHUWSGYYSFW,Fatty acids,Fatty amides,N-acyl amines,Acmella oppositifolia,190001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Acmella'],['Acmella oppositifolia'],4,0,5.2507476806640625 1151,3486,-1,,,,0.31268692,ISDB,BXOCHUWSGYYSFW-HVWOQQCMSA-N,"InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,15,16)/b5-4+,7-6-,11-10+",C/C=C/C=C\CC/C=C/C(=O)NCC(C)C,C14H23NO,,221.177964356,BXOCHUWSGYYSFW,Fatty acids,Fatty amides,N-acyl amines,Acmella ciliata,7604718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Acmella'],['Acmella ciliata'],4,0,5.2507476806640625 1152,3486,-1,,,,0.31268692,ISDB,BXOCHUWSGYYSFW-HVWOQQCMSA-N,"InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,15,16)/b5-4+,7-6-,11-10+",C/C=C/C=C\CC/C=C/C(=O)NCC(C)C,C14H23NO,,221.177964356,BXOCHUWSGYYSFW,Fatty acids,Fatty amides,N-acyl amines,Acmella oleracea,5794458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Acmella'],['Acmella oleracea'],4,0,5.2507476806640625 1153,3483,-1,,,,0.0,MS1_match,PZIRUHCJZBGLDY-YNFSWUFJSA-N,"InChI=1S/C27H42O6/c1-14(25(32)33)5-6-21(29)15(2)24-23(31)13-19-17-12-22(30)20-11-16(28)7-9-26(20,3)18(17)8-10-27(19,24)4/h14-20,22,24,28,30H,5-13H2,1-4H3,(H,32,33)/t14-,15-,16+,17-,18+,19+,20-,22+,24-,26+,27-/m0/s1",C[C@@H](CCC(=O)[C@H](C)[C@H]1C(=O)C[C@@H]2[C@H]3C[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(=O)O,C27H42O6,pos_1_1proton1ethylamine,462.298139064,PZIRUHCJZBGLDY,Terpenoids,Steroids,Cholestane steroids,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1154,3483,-1,,,,0.0,MS1_match,PZIRUHCJZBGLDY-YNFSWUFJSA-N,"InChI=1S/C27H42O6/c1-14(25(32)33)5-6-21(29)15(2)24-23(31)13-19-17-12-22(30)20-11-16(28)7-9-26(20,3)18(17)8-10-27(19,24)4/h14-20,22,24,28,30H,5-13H2,1-4H3,(H,32,33)/t14-,15-,16+,17-,18+,19+,20-,22+,24-,26+,27-/m0/s1",C[C@@H](CCC(=O)[C@H](C)[C@H]1C(=O)C[C@@H]2[C@H]3C[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(=O)O,C27H42O6,pos_1_1proton1ethylamine,462.298139064,PZIRUHCJZBGLDY,Terpenoids,Steroids,Cholestane steroids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1155,3482,-1,,,,0.0,MS1_match,XMXGGPVFYCGIQV-LZWOXQAQSA-N,"InChI=1S/C16H26O4/c1-11(2)14(17)9-10-16(3,19)13-7-5-12(6-8-13)15(18)20-4/h5,13-14,17,19H,1,6-10H2,2-4H3/t13-,14+,16-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC=C(C(=O)OC)CC1,C16H26O4,pos_2MNa,282.183109312,XMXGGPVFYCGIQV,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1156,3482,-1,,,,0.0,MS1_match,AAXHRFJECJMASC-ZVZLTRKCSA-N,"InChI=1S/C16H26O4/c1-15(2,18)10-5-11-16(3,19)13-8-6-12(7-9-13)14(17)20-4/h5-6,10,13,18-19H,7-9,11H2,1-4H3/b10-5+/t13-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC1,C16H26O4,pos_2MNa,282.183109312,AAXHRFJECJMASC,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1157,3481,-1,,,,0.5938361,ISDB,KGTOYGJSRYRTBM-NEPJUHHUSA-N,"InChI=1S/C14H22O2/c1-10-4-6-11(7-5-10)12-8-9-13(15)14(2,3)16-12/h4,11-12H,5-9H2,1-3H3/t11-,12+/m1/s1",CC1=CC[C@@H]([C@@H]2CCC(=O)C(C)(C)O2)CC1,C14H22O2,,222.161979944,KGTOYGJSRYRTBM,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Chamomilla recutita,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],4,0,6.375344514846802 1158,3481,-1,,,,0.5938361,ISDB,KGTOYGJSRYRTBM-NEPJUHHUSA-N,"InChI=1S/C14H22O2/c1-10-4-6-11(7-5-10)12-8-9-13(15)14(2,3)16-12/h4,11-12H,5-9H2,1-3H3/t11-,12+/m1/s1",CC1=CC[C@@H]([C@@H]2CCC(=O)C(C)(C)O2)CC1,C14H22O2,,222.161979944,KGTOYGJSRYRTBM,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Matricaria chamomilla,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],4,0,6.375344514846802 1159,3479,-1,,,,0.0,MS1_match,LFKQVVDFNHDYNK-FOXCETOMSA-N,"InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H26O11,pos_1_1sodium,478.1475116519999,LFKQVVDFNHDYNK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 1160,3479,-1,,,,0.0,MS1_match,LFKQVVDFNHDYNK-FOXCETOMSA-N,"InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H26O11,pos_1_1sodium,478.1475116519999,LFKQVVDFNHDYNK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],6,0,6.0 1161,3479,-1,,,,0.0,MS1_match,LFKQVVDFNHDYNK-FOXCETOMSA-N,"InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H26O11,pos_1_1sodium,478.1475116519999,LFKQVVDFNHDYNK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 1162,3479,-1,,,,0.0,MS1_match,LFKQVVDFNHDYNK-FOXCETOMSA-N,"InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H26O11,pos_1_1sodium,478.1475116519999,LFKQVVDFNHDYNK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],6,0,6.0 1163,3479,-1,,,,0.0,MS1_match,VHGJMSVFUPCQGC-TWHNPTDFSA-N,"InChI=1S/C23H26O11/c1-30-11-6-12(25)19-13(26)8-15(32-17(19)7-11)10-3-4-14(31-2)16(5-10)33-23-22(29)21(28)20(27)18(9-24)34-23/h3-7,15,18,20-25,27-29H,8-9H2,1-2H3/t15-,18-,20-,21+,22-,23-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c1)CC2=O,C23H26O11,pos_1_1sodium,478.147511652,VHGJMSVFUPCQGC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,0,6.0 1164,3479,-1,,,,0.0,MS1_match,VHGJMSVFUPCQGC-TWHNPTDFSA-N,"InChI=1S/C23H26O11/c1-30-11-6-12(25)19-13(26)8-15(32-17(19)7-11)10-3-4-14(31-2)16(5-10)33-23-22(29)21(28)20(27)18(9-24)34-23/h3-7,15,18,20-25,27-29H,8-9H2,1-2H3/t15-,18-,20-,21+,22-,23-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c1)CC2=O,C23H26O11,pos_1_1sodium,478.147511652,VHGJMSVFUPCQGC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,0,6.0 1165,3479,-1,,,,0.0,MS1_match,NKYUUWHIEOUGKB-HCBKAOJGSA-N,"InChI=1S/C23H26O11/c1-30-11-6-16-19(13(26)8-15(32-16)10-3-4-14(31-2)12(25)5-10)17(7-11)33-23-22(29)21(28)20(27)18(9-24)34-23/h3-7,15,18,20-25,27-29H,8-9H2,1-2H3/t15-,18-,20+,21-,22+,23+/m0/s1",COc1cc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(OC)c(O)c1)CC2=O,C23H26O11,pos_1_1sodium,478.147511652,NKYUUWHIEOUGKB,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 1166,3478,529,,,,0.0,MS1_match,NOQYJICHFNSIFZ-DIACKHNESA-N,"InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3/t9-,10-,11+,12-,14+/m1/s1",COc1cc(O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H20O9,pos_1_1potassium,332.11073221999993,NOQYJICHFNSIFZ,,,,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 1167,3478,529,,,,0.0,MS1_match,NOQYJICHFNSIFZ-DIACKHNESA-N,"InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3/t9-,10-,11+,12-,14+/m1/s1",COc1cc(O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H20O9,pos_1_1potassium,332.11073221999993,NOQYJICHFNSIFZ,,,,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 1168,3477,-1,,,,0.0,MS1_match,KHLDBCBSYZXYCX-NSUAHFFNSA-N,"InChI=1S/C28H44O6/c1-17(2)12-23(31)34-21-13-18-19(33-24(32)15-22(29)30)14-20-25(3,4)8-7-9-27(20,6)28(18)11-10-26(21,5)16-28/h17-21H,7-16H2,1-6H3,(H,29,30)/t18-,19+,20+,21-,26+,27+,28+/m1/s1",CC(C)CC(=O)O[C@@H]1C[C@@H]2[C@@H](OC(=O)CC(=O)O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3,C28H44O6,pos_2_2proton,476.313789128,KHLDBCBSYZXYCX,Terpenoids,Diterpenoids,Villanovane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 1169,3477,-1,,,,0.0,MS1_match,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C=CCc1ccc(OC)c(OC)c1,C11H14O2,pos_1_1proton1isopropanol,178.099379688,ZYEMGPIYFIJGTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 1170,3477,-1,,,,0.0,MS1_match,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C=CCc1ccc(OC)c(OC)c1,C11H14O2,pos_1_1proton1isopropanol,178.099379688,ZYEMGPIYFIJGTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 1171,3477,-1,,,,0.0,MS1_match,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C=CCc1ccc(OC)c(OC)c1,C11H14O2,pos_1_1proton1isopropanol,178.099379688,ZYEMGPIYFIJGTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,0,6.0 1172,3476,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.4217873,ISDB,WTEVQBCEXWBHNA-YFHOEESVSA-N,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-",CC(C)=CCC/C(C)=C\C=O,C10H16O,,152.120115132,WTEVQBCEXWBHNA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,11.187149167060852 1173,3475,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.545677,ISDB,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,11.182708024978638 1174,3473,-1,,,,0.0,MS1_match,UPASGSSMBIZMDX-WNENLGFLSA-N,"InChI=1S/C24H28O10/c1-31-18-12-15(4-8-17(18)26)5-9-20(27)33-13-19-21(28)22(29)23(30)24(34-19)32-11-10-14-2-6-16(25)7-3-14/h2-9,12,19,21-26,28-30H,10-11,13H2,1H3/b9-5+/t19-,21-,22+,23-,24-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C24H28O10,pos_1_1proton1ethylamine,476.168247096,UPASGSSMBIZMDX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 1175,3470,-1,,,,0.0,MS1_match,OXXHDKUBYIJFLV-SMYKEERYSA-N,"InChI=1S/C30H44O4/c1-18(2)9-8-14-29(7)24-21(31)17-28(6)20-10-11-22-26(3,4)23(32)13-15-27(22,5)19(20)12-16-30(24,28)25(33)34-29/h10,19,22-24,32H,1,8-9,11-17H2,2-7H3/t19-,22+,23+,24-,27-,28+,29+,30-/m1/s1",C=C(C)CCC[C@]1(C)OC(=O)[C@]23CC[C@@H]4C(=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC(=O)[C@@H]31,C30H44O4,pos_2MMg,468.323959888,OXXHDKUBYIJFLV,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 1176,3469,-1,,,,0.0,MS1_match,HBJUPPWOEYNGBO-UHFFFAOYSA-N,"InChI=1S/C18H32O5/c19-17(20)13-9-5-1-3-7-11-15-16(23-15)12-8-4-2-6-10-14-18(21)22/h15-16H,1-14H2,(H,19,20)(H,21,22)",O=C(O)CCCCCCCC1OC1CCCCCCCC(=O)O,C18H32O5,pos_1_1proton1ammonium,328.224974124,HBJUPPWOEYNGBO,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 1177,3466,-1,,,,0.0,MS1_match,DHOHKRJHRNXWGD-FQXXIRCGSA-N,"InChI=1S/C18H26O11/c19-5-9-1-3-10(4-2-9)28-16-14(23)13(22)12(21)11(29-16)6-26-17-15(24)18(25,7-20)8-27-17/h1-4,11-17,19-25H,5-8H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1",OCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1,C18H26O11,pos_1_1proton2acetonitrile,418.147511652,DHOHKRJHRNXWGD,,,,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],7,0,7.0 1178,3466,-1,,,,0.0,MS1_match,DHOHKRJHRNXWGD-FQXXIRCGSA-N,"InChI=1S/C18H26O11/c19-5-9-1-3-10(4-2-9)28-16-14(23)13(22)12(21)11(29-16)6-26-17-15(24)18(25,7-20)8-27-17/h1-4,11-17,19-25H,5-8H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1",OCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1,C18H26O11,pos_1_1proton2acetonitrile,418.147511652,DHOHKRJHRNXWGD,,,,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,0,7.0 1179,3465,-1,,,,0.0,MS1_match,SRPHMISUTWFFKJ-QJNWWGCFSA-N,"InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H44O7,pos_1_minus1proton1magnesium,516.3087037479999,SRPHMISUTWFFKJ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Physocarpus opulifolius,769165.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Neillieae'],['Physocarpus'],['Physocarpus opulifolius'],6,0,6.0 1180,3465,-1,,,,0.0,MS1_match,SRPHMISUTWFFKJ-UYOOCETRSA-N,"InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18-,19-,20+,23+,27+,28-,29+,30-/m1/s1",CC(C)(O)/C=C/C(=O)[C@@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H44O7,pos_1_minus1proton1magnesium,516.308703748,SRPHMISUTWFFKJ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Purshia tridentata,156916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia tridentata'],6,0,6.0 1181,3465,-1,,,,0.0,MS1_match,SRPHMISUTWFFKJ-QJNWWGCFSA-N,"InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H44O7,pos_1_minus1proton1magnesium,516.3087037479999,SRPHMISUTWFFKJ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Physocarpus opulifolius,769165.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Neillieae'],['Physocarpus'],['Physocarpus opulifolius'],6,0,6.0 1182,3465,-1,,,,0.0,MS1_match,SRPHMISUTWFFKJ-UYOOCETRSA-N,"InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18-,19-,20+,23+,27+,28-,29+,30-/m1/s1",CC(C)(O)/C=C/C(=O)[C@@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H44O7,pos_1_minus1proton1magnesium,516.308703748,SRPHMISUTWFFKJ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Purshia tridentata,156916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia tridentata'],6,0,6.0 1183,3465,-1,,,,0.0,MS1_match,ALPSEMFPAVSKJO-WCGKEEAASA-N,"InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17,19-20,23-24,32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,24+,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H44O7,pos_1_minus1proton1magnesium,516.3087037479999,ALPSEMFPAVSKJO,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Physocarpus opulifolius,769165.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Neillieae'],['Physocarpus'],['Physocarpus opulifolius'],6,0,6.0 1184,3465,-1,,,,0.0,MS1_match,ALPSEMFPAVSKJO-WCGKEEAASA-N,"InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17,19-20,23-24,32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,24+,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H44O7,pos_1_minus1proton1magnesium,516.3087037479999,ALPSEMFPAVSKJO,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Physocarpus opulifolius,769165.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Neillieae'],['Physocarpus'],['Physocarpus opulifolius'],6,0,6.0 1185,3462,-1,,,,0.0,MS1_match,AKCWKACKPGSALW-MJLBXUHQSA-N,"InChI=1S/C20H34O4/c1-7-20(6,23)13-9-12-17(11-8-10-16(2)3)15-24-18(21)14-19(4,5)22/h7,10,12,22-23H,1,8-9,11,13-15H2,2-6H3/b17-12-/t20-/m1/s1",C=C[C@@](C)(O)CC/C=C(/CCC=C(C)C)COC(=O)CC(C)(C)O,C20H34O4,pos_1_1proton1ethylamine,338.245709568,AKCWKACKPGSALW,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,0,7.0 1186,3461,628,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,pos_1_1proton1isopropanol,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1187,3459,-1,,,,0.0,MS1_match,KHLDBCBSYZXYCX-NSUAHFFNSA-N,"InChI=1S/C28H44O6/c1-17(2)12-23(31)34-21-13-18-19(33-24(32)15-22(29)30)14-20-25(3,4)8-7-9-27(20,6)28(18)11-10-26(21,5)16-28/h17-21H,7-16H2,1-6H3,(H,29,30)/t18-,19+,20+,21-,26+,27+,28+/m1/s1",CC(C)CC(=O)O[C@@H]1C[C@@H]2[C@@H](OC(=O)CC(=O)O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3,C28H44O6,pos_1_1sodium,476.313789128,KHLDBCBSYZXYCX,Terpenoids,Diterpenoids,Villanovane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 1188,3457,266,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,YKDNTEQLKGYZHT-JSAIFSMWSA-N,"InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2/t18-,27-,28+,29-,34-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C34H26O22,pos_1_1proton1ammonium,786.091572472,YKDNTEQLKGYZHT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 1189,3457,266,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,YKDNTEQLKGYZHT-JSAIFSMWSA-N,"InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2/t18-,27-,28+,29-,34-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C34H26O22,pos_1_1proton1ammonium,786.091572472,YKDNTEQLKGYZHT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 1190,3456,-1,,,,0.0,MS1_match,UBWUZHMCADSLDT-SOHRVHQUSA-N,"InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C21H36O8,pos_1_1proton1ethylamine,416.241018112,UBWUZHMCADSLDT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 1191,3455,-1,,,,0.0,MS1_match,KHLDBCBSYZXYCX-NSUAHFFNSA-N,"InChI=1S/C28H44O6/c1-17(2)12-23(31)34-21-13-18-19(33-24(32)15-22(29)30)14-20-25(3,4)8-7-9-27(20,6)28(18)11-10-26(21,5)16-28/h17-21H,7-16H2,1-6H3,(H,29,30)/t18-,19+,20+,21-,26+,27+,28+/m1/s1",CC(C)CC(=O)O[C@@H]1C[C@@H]2[C@@H](OC(=O)CC(=O)O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3,C28H44O6,pos_1_1proton1ethylamine,476.313789128,KHLDBCBSYZXYCX,Terpenoids,Diterpenoids,Villanovane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 1192,3455,-1,,,,0.0,MS1_match,CDPOJDDWXIJFPO-JZQNBJMNSA-N,"InChI=1S/C30H48O6/c1-25(16-31)10-12-30(24(35)36)13-11-28(4)18(19(30)14-25)6-7-22-26(2)15-20(33)23(34)27(3,17-32)21(26)8-9-29(22,28)5/h6,19-23,31-34H,7-17H2,1-5H3,(H,35,36)/t19-,20+,21+,22+,23-,25+,26-,27-,28+,29+,30-/m0/s1",C[C@@]1(CO)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O6,pos_1_1proton1ammonium,504.345089256,CDPOJDDWXIJFPO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Photinia serratifolia,653082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia serratifolia'],7,0,7.0 1193,3455,-1,,,,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ammonium,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 1194,3455,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ammonium,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,0,7.0 1195,3455,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ammonium,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,0,7.0 1196,3455,-1,,,,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ammonium,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 1197,3455,-1,,,,0.0,MS1_match,CDPOJDDWXIJFPO-JZQNBJMNSA-N,"InChI=1S/C30H48O6/c1-25(16-31)10-12-30(24(35)36)13-11-28(4)18(19(30)14-25)6-7-22-26(2)15-20(33)23(34)27(3,17-32)21(26)8-9-29(22,28)5/h6,19-23,31-34H,7-17H2,1-5H3,(H,35,36)/t19-,20+,21+,22+,23-,25+,26-,27-,28+,29+,30-/m0/s1",C[C@@]1(CO)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O6,pos_1_1proton1ammonium,504.345089256,CDPOJDDWXIJFPO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Photinia serrulata,7056912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia bodinieri'],7,0,7.0 1198,3454,-1,,,,0.6487382,ISDB,ARJQDAMXWKRPTE-AWNIVKPZSA-N,"InChI=1S/C16H22O2/c1-12(2)15-10-8-14(9-11-15)7-5-6-13(3)16(17)18-4/h6,8-12H,5,7H2,1-4H3/b13-6+",COC(=O)/C(C)=C/CCc1ccc(C(C)C)cc1,C16H22O2,,246.161979944,ARJQDAMXWKRPTE,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Nidorella auriculata,637020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nidorella'],['Nidorella polycephala'],4,0,6.594952821731567 1199,3452,-1,,,,0.34490845,ISDB,UXGFDGDPHNRIBO-OXJNMPFZSA-N,"InChI=1S/C20H26O2/c1-6-13-12(2)7-8-14-18(13)15(21)11-16-19(3,4)17(22)9-10-20(14,16)5/h7-8,16H,6,9-11H2,1-5H3/t16-,20+/m0/s1",CCc1c(C)ccc2c1C(=O)C[C@H]1C(C)(C)C(=O)CC[C@]21C,C20H26O2,,298.193280072,UXGFDGDPHNRIBO,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],4,0,5.379633784294128 1200,3451,-1,,,,0.0,MS1_match,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,pos_1_1proton1ethylamine,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 1201,3451,-1,,,,0.0,MS1_match,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,pos_1_1proton1ethylamine,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 1202,3451,-1,,,,0.0,MS1_match,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,pos_1_1proton1ethylamine,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1203,3449,226,Terpenoids,Sesquiterpenoids,Fatty acyl glycosides of mono- and disaccharides,0.0,MS1_match,OJGRBKZBRBHZGE-NBVRZTHBSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-32(49)28(45)34(22(54-38)16-50-35-29(46)25(42)23(40)19(5)51-35)56-37-31(48)27(44)33(21(7)53-37)55-36-30(47)26(43)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+",C=CC(C)(CC/C=C(\C)CCC=C(C)C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1O,C39H66O18,pos_2_2sodium,822.424915272,OJGRBKZBRBHZGE,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,2,8.0 1204,3449,226,Terpenoids,Sesquiterpenoids,Fatty acyl glycosides of mono- and disaccharides,0.0,MS1_match,RTDSIIMUYUALQO-BWJXBXLQSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-34(28(45)25(42)22(54-38)16-50-35-30(47)26(43)23(40)19(5)51-35)56-37-32(49)29(46)33(21(7)53-37)55-36-31(48)27(44)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+/t19-,20-,21-,22+,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-/m0/s1",C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C39H66O18,pos_2_2sodium,822.424915272,RTDSIIMUYUALQO,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,2,8.0 1205,3447,-1,,,,0.0,MS1_match,KHLDBCBSYZXYCX-NSUAHFFNSA-N,"InChI=1S/C28H44O6/c1-17(2)12-23(31)34-21-13-18-19(33-24(32)15-22(29)30)14-20-25(3,4)8-7-9-27(20,6)28(18)11-10-26(21,5)16-28/h17-21H,7-16H2,1-6H3,(H,29,30)/t18-,19+,20+,21-,26+,27+,28+/m1/s1",CC(C)CC(=O)O[C@@H]1C[C@@H]2[C@@H](OC(=O)CC(=O)O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3,C28H44O6,pos_1_1sodium,476.313789128,KHLDBCBSYZXYCX,Terpenoids,Diterpenoids,Villanovane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 1206,3446,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RUVINXPYWBROJD-ONEGZZNKSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+",C/C=C/c1ccc(OC)cc1,C10H12O,pos_1_1proton1ethylamine,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,3,9.5 1207,3445,628,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,pos_1_1proton1methanol,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1208,3444,-1,,,,0.31171682,ISDB,,,,,,,MHAOGLXADUGTJY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.246867299079895 1209,3443,-1,,,,0.0,MS1_match,JLNUZDBKJOMHRX-UHFFFAOYSA-N,"InChI=1S/C15H24O4/c1-10(2)11-5-6-13(3)9-12-14(4,18-16)7-8-15(11,13)19-17-12/h7-8,10-12,16H,5-6,9H2,1-4H3",CC(C)C1CCC2(C)CC3OOC12C=CC3(C)OO,C15H24O4,pos_1_1proton1methanol,268.167459248,JLNUZDBKJOMHRX,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1210,3442,-1,,,,0.0,MS1_match,XMXGGPVFYCGIQV-LZWOXQAQSA-N,"InChI=1S/C16H26O4/c1-11(2)14(17)9-10-16(3,19)13-7-5-12(6-8-13)15(18)20-4/h5,13-14,17,19H,1,6-10H2,2-4H3/t13-,14+,16-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC=C(C(=O)OC)CC1,C16H26O4,pos_1_1proton1ethylamine,282.183109312,XMXGGPVFYCGIQV,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1211,3442,-1,,,,0.0,MS1_match,AAXHRFJECJMASC-ZVZLTRKCSA-N,"InChI=1S/C16H26O4/c1-15(2,18)10-5-11-16(3,19)13-8-6-12(7-9-13)14(17)20-4/h5-6,10,13,18-19H,7-9,11H2,1-4H3/b10-5+/t13-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC1,C16H26O4,pos_1_1proton1ethylamine,282.183109312,AAXHRFJECJMASC,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1212,3441,-1,,,,0.0,MS1_match,YYLLIJHXUHJATK-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3",CC(=O)OC1CCCCC1,C8H14O2,pos_2MNa,142.099379688,YYLLIJHXUHJATK,,,,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1213,3441,-1,,,,0.0,MS1_match,NPFVOOAXDOBMCE-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3",CCC=CCCOC(C)=O,C8H14O2,pos_2MNa,142.099379688,NPFVOOAXDOBMCE,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1214,3439,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,BJAHHJOBSKZTFE-JUIPTLLLSA-N,"InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20-,21-/m1/s1",O=C1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C21H22O12,pos_1_1proton1ammonium,466.1111261439997,BJAHHJOBSKZTFE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],6,3,7.5 1215,3439,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,BJAHHJOBSKZTFE-JUIPTLLLSA-N,"InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20-,21-/m1/s1",O=C1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C21H22O12,pos_1_1proton1ammonium,466.1111261439997,BJAHHJOBSKZTFE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],6,3,7.5 1216,3439,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,BJAHHJOBSKZTFE-JUIPTLLLSA-N,"InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20-,21-/m1/s1",O=C1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C21H22O12,pos_1_1proton1ammonium,466.1111261439997,BJAHHJOBSKZTFE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],6,3,7.5 1217,3436,-1,,,,0.0,MS1_match,LZAGCGQZQCAYEZ-SPLNTBABSA-N,"InChI=1S/C29H46O3/c1-17-11-14-29(25(31)32)16-15-27(5)19-9-10-22-26(3,4)23(30)12-13-28(22,6)20(19)7-8-21(27)24(29)18(17)2/h8,17-20,22-24,30H,7,9-16H2,1-6H3,(H,31,32)/t17-,18+,19+,20-,22-,23-,24-,27+,28-,29-/m1/s1",C[C@H]1[C@H](C)CC[C@@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@@H]3C(C)(C)[C@H](O)CC[C@]43C)[C@@H]12,C29H46O3,pos_1_minus1proton1iron,442.344695332,LZAGCGQZQCAYEZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sorbus aucuparia,217673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aucuparia'],7,0,7.0 1218,3435,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton1isopropanol,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1219,3434,465,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1isopropanol,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 1220,3434,465,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1isopropanol,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 1221,3434,465,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1isopropanol,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 1222,3434,465,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1isopropanol,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 1223,3434,465,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,UPRXEFYRIACHQZ-OMMCCPJFSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5-/t10-/m0/s1",C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,pos_1_1proton1isopropanol,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 1224,3433,-1,,,,0.0,MS1_match,AOGQPLXWSUTHQB-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3",CCCCCCOC(C)=O,C8H16O2,pos_2MHCH3CN,144.115029752,AOGQPLXWSUTHQB,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1225,3432,-1,,,,0.0,MS1_match,IVKWSOPWPDHRMQ-YQUABMASSA-N,"InChI=1S/C31H28O14/c1-41-22-9-15(8-20(35)26(22)37)30-23(12-18-19(34)10-17(33)11-21(18)43-30)44-31-29(40)28(39)27(38)24(45-31)13-42-25(36)7-4-14-2-5-16(32)6-3-14/h2-12,24,27-29,31-33,35,37-40H,13H2,1H3/t24-,27-,28+,29-,31?/m1/s1",COc1cc(-c2oc3cc(O)cc(=O)c-3cc2OC2O[C@H](COC(=O)C=Cc3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1O,C31H28O14,pos_2MFe,624.147905576,IVKWSOPWPDHRMQ,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,0,6.0 1226,3432,-1,,,,0.0,MS1_match,FYIJLTSMNXUNLT-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)21(37)23-13(43-27)5-42-25(40)7-3-11(30)17(33)19(35)14(7)15-8(26(41)44-23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-38H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,FYIJLTSMNXUNLT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1227,3432,-1,,,,0.0,MS1_match,FYIJLTSMNXUNLT-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)21(37)23-13(43-27)5-42-25(40)7-3-11(30)17(33)19(35)14(7)15-8(26(41)44-23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-38H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,FYIJLTSMNXUNLT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 1228,3432,-1,,,,0.0,MS1_match,FYIJLTSMNXUNLT-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)21(37)23-13(43-27)5-42-25(40)7-3-11(30)17(33)19(35)14(7)15-8(26(41)44-23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-38H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,FYIJLTSMNXUNLT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 1229,3432,-1,,,,0.0,MS1_match,FYIJLTSMNXUNLT-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)21(37)23-13(43-27)5-42-25(40)7-3-11(30)17(33)19(35)14(7)15-8(26(41)44-23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-38H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,FYIJLTSMNXUNLT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1230,3432,-1,,,,0.0,MS1_match,XKVYZLLWKHGKMT-UHFFFAOYSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2",O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 1231,3432,-1,,,,0.0,MS1_match,XKVYZLLWKHGKMT-UHFFFAOYSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2",O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 1232,3432,-1,,,,0.0,MS1_match,XKVYZLLWKHGKMT-UHFFFAOYSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2",O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 1233,3432,-1,,,,0.0,MS1_match,XKVYZLLWKHGKMT-UHFFFAOYSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2",O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 1234,3432,-1,,,,0.0,MS1_match,RQOWLXQAJIAZMF-UHFFFAOYSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(38)45-23-21(37)27(41)43-13-5-42-25(39)7-3-11(30)17(33)19(35)14(7)15-8(26(40)44-22(13)23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-37,41H,5H2",O=C(OC1C(O)C(O)OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC21)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.080613864,RQOWLXQAJIAZMF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1235,3432,-1,,,,0.0,MS1_match,RQOWLXQAJIAZMF-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(38)45-23-21(37)27(41)43-13-5-42-25(39)7-3-11(30)17(33)19(35)14(7)15-8(26(40)44-22(13)23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-37,41H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1[C@@H](O)[C@@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,RQOWLXQAJIAZMF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 1236,3432,-1,,,,0.0,MS1_match,RQOWLXQAJIAZMF-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(38)45-23-21(37)27(41)43-13-5-42-25(39)7-3-11(30)17(33)19(35)14(7)15-8(26(40)44-22(13)23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-37,41H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1[C@@H](O)[C@@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,RQOWLXQAJIAZMF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 1237,3432,-1,,,,0.0,MS1_match,RQOWLXQAJIAZMF-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(38)45-23-21(37)27(41)43-13-5-42-25(39)7-3-11(30)17(33)19(35)14(7)15-8(26(40)44-22(13)23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-37,41H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1[C@@H](O)[C@@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,RQOWLXQAJIAZMF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 1238,3432,-1,,,,0.0,MS1_match,RQOWLXQAJIAZMF-UHFFFAOYSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(38)45-23-21(37)27(41)43-13-5-42-25(39)7-3-11(30)17(33)19(35)14(7)15-8(26(40)44-22(13)23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-37,41H,5H2",O=C(OC1C(O)C(O)OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC21)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.080613864,RQOWLXQAJIAZMF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1239,3432,-1,,,,0.0,MS1_match,FYIJLTSMNXUNLT-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)21(37)23-13(43-27)5-42-25(40)7-3-11(30)17(33)19(35)14(7)15-8(26(41)44-23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-38H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,FYIJLTSMNXUNLT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 1240,3432,-1,,,,0.0,MS1_match,RQOWLXQAJIAZMF-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(38)45-23-21(37)27(41)43-13-5-42-25(39)7-3-11(30)17(33)19(35)14(7)15-8(26(40)44-22(13)23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-37,41H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1[C@@H](O)[C@@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,RQOWLXQAJIAZMF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 1241,3432,-1,,,,0.0,MS1_match,RQOWLXQAJIAZMF-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(38)45-23-21(37)27(41)43-13-5-42-25(39)7-3-11(30)17(33)19(35)14(7)15-8(26(40)44-22(13)23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-37,41H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1[C@@H](O)[C@@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,RQOWLXQAJIAZMF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 1242,3432,-1,,,,0.0,MS1_match,MBPYHNAWMKVREM-BDYNXYCRSA-N,"InChI=1S/C27H22O18/c28-5-13-19(36)22-23(27(42-13)45-24(39)6-1-9(29)16(33)10(30)2-6)44-26(41)8-4-12(32)18(35)21(38)15(8)14-7(25(40)43-22)3-11(31)17(34)20(14)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22+,23-,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.080613864,MBPYHNAWMKVREM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 1243,3432,-1,,,,0.0,MS1_match,MBPYHNAWMKVREM-BDYNXYCRSA-N,"InChI=1S/C27H22O18/c28-5-13-19(36)22-23(27(42-13)45-24(39)6-1-9(29)16(33)10(30)2-6)44-26(41)8-4-12(32)18(35)21(38)15(8)14-7(25(40)43-22)3-11(31)17(34)20(14)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22+,23-,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.080613864,MBPYHNAWMKVREM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 1244,3432,-1,,,,0.0,MS1_match,MBPYHNAWMKVREM-NONVESTASA-N,"InChI=1S/C27H22O18/c28-5-13-19(36)22-23(27(42-13)45-24(39)6-1-9(29)16(33)10(30)2-6)44-26(41)8-4-12(32)18(35)21(38)15(8)14-7(25(40)43-22)3-11(31)17(34)20(14)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22+,23-,27-/m1/s1",O=C(O[C@H]1O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.080613864,MBPYHNAWMKVREM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 1245,3432,-1,,,,0.0,MS1_match,MBPYHNAWMKVREM-NONVESTASA-N,"InChI=1S/C27H22O18/c28-5-13-19(36)22-23(27(42-13)45-24(39)6-1-9(29)16(33)10(30)2-6)44-26(41)8-4-12(32)18(35)21(38)15(8)14-7(25(40)43-22)3-11(31)17(34)20(14)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22+,23-,27-/m1/s1",O=C(O[C@H]1O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.080613864,MBPYHNAWMKVREM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 1246,3432,-1,,,,0.0,MS1_match,MBPYHNAWMKVREM-BDYNXYCRSA-N,"InChI=1S/C27H22O18/c28-5-13-19(36)22-23(27(42-13)45-24(39)6-1-9(29)16(33)10(30)2-6)44-26(41)8-4-12(32)18(35)21(38)15(8)14-7(25(40)43-22)3-11(31)17(34)20(14)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22+,23-,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.080613864,MBPYHNAWMKVREM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1247,3432,-1,,,,0.0,MS1_match,MBPYHNAWMKVREM-LBYUUNFYSA-N,"InChI=1S/C27H22O18/c28-5-13-19(36)22-23(27(42-13)45-24(39)6-1-9(29)16(33)10(30)2-6)44-26(41)8-4-12(32)18(35)21(38)15(8)14-7(25(40)43-22)3-11(31)17(34)20(14)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22+,23+,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.080613864,MBPYHNAWMKVREM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 1248,3432,-1,,,,0.0,MS1_match,FSHKRIFUEGZCIN-DPFCLURTSA-N,"InChI=1S/C31H28O14/c1-41-20-10-15(5-8-18(20)33)30-28(39)26(37)24-19(34)11-17(12-21(24)44-30)43-31-29(40)27(38)25(36)22(45-31)13-42-23(35)9-4-14-2-6-16(32)7-3-14/h2-12,22,25,27,29,31-34,36,38-40H,13H2,1H3/b9-4+/t22-,25-,27+,29-,31-/m1/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O)ccc1O,C31H28O14,pos_2MFe,624.147905576,FSHKRIFUEGZCIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,6.0 1249,3432,-1,,,,0.0,MS1_match,RKHQLCNACMCZQU-UHFFFAOYSA-N,"InChI=1S/C31H28O14/c1-41-20-10-14(2-8-18(20)34)3-9-23(36)42-13-22-25(37)27(39)28(40)31(44-22)45-30-26(38)24-19(35)11-17(33)12-21(24)43-29(30)15-4-6-16(32)7-5-15/h2-12,22,25,27-28,31-35,37,39-40H,13H2,1H3",COc1cc(C=CC(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)ccc1O,C31H28O14,pos_2MFe,624.147905576,RKHQLCNACMCZQU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Polylepis incana,141740.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis incana'],6,0,6.0 1250,3432,-1,,,,0.0,MS1_match,RKHQLCNACMCZQU-UHFFFAOYSA-N,"InChI=1S/C31H28O14/c1-41-20-10-14(2-8-18(20)34)3-9-23(36)42-13-22-25(37)27(39)28(40)31(44-22)45-30-26(38)24-19(35)11-17(33)12-21(24)43-29(30)15-4-6-16(32)7-5-15/h2-12,22,25,27-28,31-35,37,39-40H,13H2,1H3",COc1cc(C=CC(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)ccc1O,C31H28O14,pos_2MFe,624.147905576,RKHQLCNACMCZQU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Polylepis besseri,664135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis besseri'],6,0,6.0 1251,3432,-1,,,,0.0,MS1_match,RKHQLCNACMCZQU-UHFFFAOYSA-N,"InChI=1S/C31H28O14/c1-41-20-10-14(2-8-18(20)34)3-9-23(36)42-13-22-25(37)27(39)28(40)31(44-22)45-30-26(38)24-19(35)11-17(33)12-21(24)43-29(30)15-4-6-16(32)7-5-15/h2-12,22,25,27-28,31-35,37,39-40H,13H2,1H3",COc1cc(C=CC(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)ccc1O,C31H28O14,pos_2MFe,624.147905576,RKHQLCNACMCZQU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Polylepis incana,141740.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis incana'],6,0,6.0 1252,3432,-1,,,,0.0,MS1_match,RKHQLCNACMCZQU-UHFFFAOYSA-N,"InChI=1S/C31H28O14/c1-41-20-10-14(2-8-18(20)34)3-9-23(36)42-13-22-25(37)27(39)28(40)31(44-22)45-30-26(38)24-19(35)11-17(33)12-21(24)43-29(30)15-4-6-16(32)7-5-15/h2-12,22,25,27-28,31-35,37,39-40H,13H2,1H3",COc1cc(C=CC(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)ccc1O,C31H28O14,pos_2MFe,624.147905576,RKHQLCNACMCZQU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Polylepis besseri,664135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis besseri'],6,0,6.0 1253,3432,-1,,,,0.0,MS1_match,IVKWSOPWPDHRMQ-YQUABMASSA-N,"InChI=1S/C31H28O14/c1-41-22-9-15(8-20(35)26(22)37)30-23(12-18-19(34)10-17(33)11-21(18)43-30)44-31-29(40)28(39)27(38)24(45-31)13-42-25(36)7-4-14-2-5-16(32)6-3-14/h2-12,24,27-29,31-33,35,37-40H,13H2,1H3/t24-,27-,28+,29-,31?/m1/s1",COc1cc(-c2oc3cc(O)cc(=O)c-3cc2OC2O[C@H](COC(=O)C=Cc3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1O,C31H28O14,pos_2MFe,624.147905576,IVKWSOPWPDHRMQ,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Rubus,972648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Unknown'],6,0,6.0 1254,3432,-1,,,,0.0,MS1_match,RQOWLXQAJIAZMF-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(38)45-23-21(37)27(41)43-13-5-42-25(39)7-3-11(30)17(33)19(35)14(7)15-8(26(40)44-22(13)23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-37,41H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1[C@@H](O)[C@@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,RQOWLXQAJIAZMF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 1255,3432,-1,,,,0.0,MS1_match,FYIJLTSMNXUNLT-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)21(37)23-13(43-27)5-42-25(40)7-3-11(30)17(33)19(35)14(7)15-8(26(41)44-23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-38H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,FYIJLTSMNXUNLT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 1256,3431,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1sodium,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1257,3431,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1sodium,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1258,3431,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1sodium,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1259,3431,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1sodium,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1260,3431,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1sodium,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1261,3431,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1sodium,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1262,3429,348,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,0.4963649,ISDB,DUKANLAALCEHLW-OAHLLOKOSA-N,"InChI=1S/C15H22O/c1-11(2)13-7-9-15(3)8-6-12(10-16)4-5-14(13)15/h6,10-11H,4-5,7-9H2,1-3H3/t15-/m1/s1",CC(C)C1=C2CCC(C=O)=CC[C@]2(C)CC1,C15H22O,,218.167065324,DUKANLAALCEHLW,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,9.485459566116333 1263,3425,73,Terpenoids,Steroids,Cholestane steroids,0.20386969,ISDB,BIXWVSLNTIFDQN-UHFFFAOYSA-N,"InChI=1S/C28H46O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h16,18-22,29H,8-15,17H2,1-7H3",Cc1c(O)cc2c(c1C)OC(C)(CCCC(C)CCCC(C)CCCC(C)C)C=C2,C28H46O2,,414.349780712,BIXWVSLNTIFDQN,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Stemona curtisii,310604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Stemonaceae'],['Unknown'],['Stemona'],['Stemona curtisii'],4,1,5.31547874212265 1264,3425,73,Terpenoids,Steroids,Cholestane steroids,0.20386969,ISDB,BIXWVSLNTIFDQN-UHFFFAOYSA-N,"InChI=1S/C28H46O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h16,18-22,29H,8-15,17H2,1-7H3",Cc1c(O)cc2c(c1C)OC(C)(CCCC(C)CCCC(C)CCCC(C)C)C=C2,C28H46O2,,414.349780712,BIXWVSLNTIFDQN,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Stemona japonica,727392.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Stemonaceae'],['Unknown'],['Stemona'],['Stemona japonica'],4,1,5.31547874212265 1265,3421,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 1266,3421,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 1267,3420,-1,,,,0.0,MS1_match,CDPOJDDWXIJFPO-JZQNBJMNSA-N,"InChI=1S/C30H48O6/c1-25(16-31)10-12-30(24(35)36)13-11-28(4)18(19(30)14-25)6-7-22-26(2)15-20(33)23(34)27(3,17-32)21(26)8-9-29(22,28)5/h6,19-23,31-34H,7-17H2,1-5H3,(H,35,36)/t19-,20+,21+,22+,23-,25+,26-,27-,28+,29+,30-/m0/s1",C[C@@]1(CO)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O6,pos_1_1sodium,504.345089256,CDPOJDDWXIJFPO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Photinia serrulata,7056912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia bodinieri'],7,0,7.0 1268,3420,-1,,,,0.0,MS1_match,CDPOJDDWXIJFPO-JZQNBJMNSA-N,"InChI=1S/C30H48O6/c1-25(16-31)10-12-30(24(35)36)13-11-28(4)18(19(30)14-25)6-7-22-26(2)15-20(33)23(34)27(3,17-32)21(26)8-9-29(22,28)5/h6,19-23,31-34H,7-17H2,1-5H3,(H,35,36)/t19-,20+,21+,22+,23-,25+,26-,27-,28+,29+,30-/m0/s1",C[C@@]1(CO)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O6,pos_1_1sodium,504.345089256,CDPOJDDWXIJFPO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Photinia serratifolia,653082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia serratifolia'],7,0,7.0 1269,3420,-1,,,,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1sodium,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 1270,3420,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1sodium,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,0,7.0 1271,3420,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1sodium,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,0,7.0 1272,3420,-1,,,,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1sodium,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 1273,3419,-1,,,,0.0,MS1_match,DHOHKRJHRNXWGD-FQXXIRCGSA-N,"InChI=1S/C18H26O11/c19-5-9-1-3-10(4-2-9)28-16-14(23)13(22)12(21)11(29-16)6-26-17-15(24)18(25,7-20)8-27-17/h1-4,11-17,19-25H,5-8H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1",OCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1,C18H26O11,pos_1_1proton1ammonium,418.147511652,DHOHKRJHRNXWGD,,,,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],6,0,6.0 1274,3419,-1,,,,0.0,MS1_match,DHOHKRJHRNXWGD-FQXXIRCGSA-N,"InChI=1S/C18H26O11/c19-5-9-1-3-10(4-2-9)28-16-14(23)13(22)12(21)11(29-16)6-26-17-15(24)18(25,7-20)8-27-17/h1-4,11-17,19-25H,5-8H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1",OCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1,C18H26O11,pos_1_1proton1ammonium,418.147511652,DHOHKRJHRNXWGD,,,,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,0,6.0 1275,3419,-1,,,,0.0,MS1_match,NQUDNNNRNDPWFZ-KDGZLGQYSA-N,"InChI=1S/C22H32O7/c1-7-11(2)19(24)29-18-17-12(3)20(25)28-16(17)10-22(26)9-8-15(27-14(5)23)13(4)21(18,22)6/h11,13,15-16,18,26H,7-10H2,1-6H3/t11-,13-,15-,16-,18+,21-,22-/m1/s1",CC[C@@H](C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C[C@]2(O)CC[C@@H](OC(C)=O)[C@@H](C)[C@]12C,C22H32O7,pos_2MFe,408.214803364,NQUDNNNRNDPWFZ,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 1276,3416,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton1isopropanol,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 1277,3415,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,MROVETGJOLYNJI-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3",C=C(C)C1CCC2(C)C(=C(C)C(=O)CC2O)C1,C15H22O2,pos_1_1proton1methanol,234.161979944,MROVETGJOLYNJI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,3,8.5 1278,3415,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,MROVETGJOLYNJI-KCPJHIHWSA-N,"InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3/t11-,14-,15-/m1/s1",C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C(=O)C[C@H]2O)C1,C15H22O2,pos_1_1proton1methanol,234.161979944,MROVETGJOLYNJI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,3,8.5 1279,3414,-1,,,,0.0,MS1_match,DMASLKHVQRHNES-FKKUPVFPSA-N,"InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)CCC1,C40H56O,pos_2MMg,552.433116412,DMASLKHVQRHNES,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1280,3414,-1,,,,0.0,MS1_match,DMASLKHVQRHNES-FKKUPVFPSA-N,"InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)CCC1,C40H56O,pos_2MMg,552.433116412,DMASLKHVQRHNES,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 1281,3412,-1,,,,0.0,MS1_match,ZOJSSXJDOHFOTI-HOCLYGCPSA-N,"InChI=1S/C16H26O3/c1-12(2)6-5-11-16(3,18)14-9-7-13(8-10-14)15(17)19-4/h6-7,14,18H,5,8-11H2,1-4H3/t14-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)CCC=C(C)C)CC1,C16H26O3,pos_2MNa,266.188194692,ZOJSSXJDOHFOTI,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1282,3411,-1,,,,0.0,MS1_match,KRHXGSVJPFGCQY-SOVLZIDRSA-N,"InChI=1S/C25H30O11/c1-13(2)11-17-20(28)16(24(32)35-17)9-10-33-25-23(31)22(30)21(29)18(36-25)12-34-19(27)8-5-14-3-6-15(26)7-4-14/h3-9,11,17-18,20-23,25-26,28-31H,10,12H2,1-2H3/b8-5-,16-9-/t17-,18-,20+,21-,22+,23-,25-/m1/s1",CC(C)=C[C@H]1OC(=O)/C(=C\CO[C@@H]2O[C@H](COC(=O)/C=C\c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,C25H30O11,pos_1_1sodium,506.17881178,KRHXGSVJPFGCQY,Terpenoids,Monoterpenoids,,Spiraea cantoniensis,873706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea cantoniensis'],6,0,6.0 1283,3411,-1,,,,0.0,MS1_match,YIAMHLDJJPJHOO-FCCPMCCSSA-N,"InChI=1S/C25H30O11/c1-13(2)23(36-19(28)8-5-14-3-6-16(27)7-4-14)17-11-15(24(32)34-17)9-10-33-25-22(31)21(30)20(29)18(12-26)35-25/h3-9,17-18,20-23,25-27,29-31H,1,10-12H2,2H3/b8-5+,15-9-/t17-,18+,20+,21-,22+,23+,25+/m0/s1",C=C(C)[C@@H](OC(=O)/C=C/c1ccc(O)cc1)[C@@H]1C/C(=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1,C25H30O11,pos_1_1sodium,506.17881178,YIAMHLDJJPJHOO,Shikimates and Phenylpropanoids,,,Spiraea prunifolia,258077.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea prunifolia'],6,0,6.0 1284,3409,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.0,MS1_match,JAZBEHYOTPTENJ-UHFFFAOYSA-N,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O,C20H30O2,pos_1_1proton1methanol,302.2245802,JAZBEHYOTPTENJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,3,8.5 1285,3408,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BAEXUXXJQFAXLI-LSLMRWIDSA-N,"InChI=1S/C15H26O3/c1-6-14(4,17)9-7-10-15(5)11-8-12(18-15)13(2,3)16/h6-7,10,12,16-17H,1,8-9,11H2,2-5H3/b10-7-/t12-,14+,15-/m0/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O)O1,C15H26O3,pos_1_1proton1acetonitrile,254.188194692,BAEXUXXJQFAXLI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,2,8.0 1286,3407,66,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,YYLLIJHXUHJATK-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3",CC(=O)OC1CCCCC1,C8H14O2,pos_2MNa,142.099379688,YYLLIJHXUHJATK,,,,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1287,3407,66,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NPFVOOAXDOBMCE-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3",CCC=CCCOC(C)=O,C8H14O2,pos_2MNa,142.099379688,NPFVOOAXDOBMCE,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1288,3406,82,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.0,MS1_match,AFZMICRBFKZNIH-UHFFFAOYSA-N,"InChI=1S/C9H18O3/c10-8-6-4-2-1-3-5-7-9(11)12/h10H,1-8H2,(H,11,12)",O=C(O)CCCCCCCCO,C9H18O3,pos_2MHNH3,174.125594436,AFZMICRBFKZNIH,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 1289,3405,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_2MHNH3,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 1290,3405,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MHNH3,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1291,3405,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_2MHNH3,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 1292,3405,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MHNH3,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 1293,3405,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MHNH3,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 1294,3403,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.75145227,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Alchemilla pentaphyllea,962789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Alchemilla'],['Alchemilla pentaphyllea'],7,0,10.00580906867981 1295,3402,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,JLNUZDBKJOMHRX-UHFFFAOYSA-N,"InChI=1S/C15H24O4/c1-10(2)11-5-6-13(3)9-12-14(4,18-16)7-8-15(11,13)19-17-12/h7-8,10-12,16H,5-6,9H2,1-4H3",CC(C)C1CCC2(C)CC3OOC12C=CC3(C)OO,C15H24O4,pos_1_1proton1methanol,268.167459248,JLNUZDBKJOMHRX,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1296,3401,786,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,0.0,MS1_match,UIERETOOQGIECD-ONEGZZNKSA-N,"InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+",C/C=C(\C)C(=O)O,C5H8O2,pos_1_1proton1methanol,100.052429496,UIERETOOQGIECD,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,3,8.5 1297,3400,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 1298,3400,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 1299,3400,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 1300,3400,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 1301,3400,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 1302,3400,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 1303,3400,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RUVINXPYWBROJD-ONEGZZNKSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+",C/C=C/c1ccc(OC)cc1,C10H12O,pos_1_1proton1methanol,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,3,9.5 1304,3396,-1,,,,0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton1methanol,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 1305,3394,-1,,,,0.0,MS1_match,UPASGSSMBIZMDX-WNENLGFLSA-N,"InChI=1S/C24H28O10/c1-31-18-12-15(4-8-17(18)26)5-9-20(27)33-13-19-21(28)22(29)23(30)24(34-19)32-11-10-14-2-6-16(25)7-3-14/h2-9,12,19,21-26,28-30H,10-11,13H2,1H3/b9-5+/t19-,21-,22+,23-,24-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C24H28O10,pos_1_1potassium,476.168247096,UPASGSSMBIZMDX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 1306,3393,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton1methanol,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1307,3392,-1,,,,0.0,MS1_match,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,pos_1_1proton1isopropanol,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1308,3389,272,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,UBWUZHMCADSLDT-SOHRVHQUSA-N,"InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C21H36O8,pos_1_1proton1methanol,416.241018112,UBWUZHMCADSLDT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 1309,3386,-1,,,,0.0,MS1_match,JQQBXPCJFAKSPG-SVYIMCMUSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,JQQBXPCJFAKSPG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 1310,3386,-1,,,,0.0,MS1_match,JQQBXPCJFAKSPG-SVYIMCMUSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,JQQBXPCJFAKSPG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 1311,3386,-1,,,,0.0,MS1_match,JQQBXPCJFAKSPG-SVYIMCMUSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,JQQBXPCJFAKSPG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum aleppicum,77545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum aleppicum'],6,0,6.0 1312,3386,-1,,,,0.0,MS1_match,JQQBXPCJFAKSPG-SVYIMCMUSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,JQQBXPCJFAKSPG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 1313,3386,-1,,,,0.0,MS1_match,JQQBXPCJFAKSPG-SVYIMCMUSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,JQQBXPCJFAKSPG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 1314,3386,-1,,,,0.0,MS1_match,JQQBXPCJFAKSPG-SVYIMCMUSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,JQQBXPCJFAKSPG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum aleppicum,77545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum aleppicum'],6,0,6.0 1315,3386,-1,,,,0.0,MS1_match,ZWKOPCKVJMISSO-WNWJQRMVSA-N,"InChI=1S/C41H28O27/c42-11-1-7(2-12(43)23(11)47)35(55)64-16-6-63-36(56)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)37(57)65-30(16)33-32-29(53)21-20(39(59)66-32)22-19-10(38(58)67-33)5-15(46)26(50)31(19)68-41(22,62)40(60,61)34(21)54/h1-5,16,22,29-30,32-33,42-53,60-62H,6H2/t16-,22+,29-,30-,32+,33+,41+/m1/s1",O=C1O[C@@H]2[C@H]([C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)OC(=O)c3cc(O)c(O)c4c3[C@H]3C1=C(C(=O)C(O)(O)[C@@]3(O)O4)[C@H]2O,C41H28O27,pos_1_1proton1ammonium,952.081795636,ZWKOPCKVJMISSO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 1316,3386,-1,,,,0.0,MS1_match,ZWKOPCKVJMISSO-WNWJQRMVSA-N,"InChI=1S/C41H28O27/c42-11-1-7(2-12(43)23(11)47)35(55)64-16-6-63-36(56)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)37(57)65-30(16)33-32-29(53)21-20(39(59)66-32)22-19-10(38(58)67-33)5-15(46)26(50)31(19)68-41(22,62)40(60,61)34(21)54/h1-5,16,22,29-30,32-33,42-53,60-62H,6H2/t16-,22+,29-,30-,32+,33+,41+/m1/s1",O=C1O[C@@H]2[C@H]([C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)OC(=O)c3cc(O)c(O)c4c3[C@H]3C1=C(C(=O)C(O)(O)[C@@]3(O)O4)[C@H]2O,C41H28O27,pos_1_1proton1ammonium,952.081795636,ZWKOPCKVJMISSO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 1317,3386,-1,,,,0.0,MS1_match,KGFYOSJVKULAKR-RYNYYSJBSA-N,"InChI=1S/C41H28O27/c42-11-1-7(36(56)57)2-15(22(11)46)64-33-21-20(29(53)30(54)31(33)55)19-8(3-12(43)25(49)28(19)52)37(58)63-6-16-32(66-40(21)61)34-35(41(62)65-16)68-39(60)10-5-14(45)24(48)27(51)18(10)17-9(38(59)67-34)4-13(44)23(47)26(17)50/h1-5,16,32,34-35,41-55,62H,6H2,(H,56,57)/t16-,32-,34+,35-,41+/m1/s1",O=C(O)c1cc(O)c(O)c(Oc2c(O)c(O)c(O)c3c2C(=O)O[C@H]2[C@@H]4OC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)O[C@H]4[C@@H](O)O[C@@H]2COC(=O)c2cc(O)c(O)c(O)c2-3)c1,C41H28O27,pos_1_1proton1ammonium,952.081795636,KGFYOSJVKULAKR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus sanctus,96557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus sanctus'],6,0,6.0 1318,3386,-1,,,,0.0,MS1_match,KGFYOSJVKULAKR-RYNYYSJBSA-N,"InChI=1S/C41H28O27/c42-11-1-7(36(56)57)2-15(22(11)46)64-33-21-20(29(53)30(54)31(33)55)19-8(3-12(43)25(49)28(19)52)37(58)63-6-16-32(66-40(21)61)34-35(41(62)65-16)68-39(60)10-5-14(45)24(48)27(51)18(10)17-9(38(59)67-34)4-13(44)23(47)26(17)50/h1-5,16,32,34-35,41-55,62H,6H2,(H,56,57)/t16-,32-,34+,35-,41+/m1/s1",O=C(O)c1cc(O)c(O)c(Oc2c(O)c(O)c(O)c3c2C(=O)O[C@H]2[C@@H]4OC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)O[C@H]4[C@@H](O)O[C@@H]2COC(=O)c2cc(O)c(O)c(O)c2-3)c1,C41H28O27,pos_1_1proton1ammonium,952.081795636,KGFYOSJVKULAKR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus sanguineus,96557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus sanctus'],6,0,6.0 1319,3385,247,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C=CCc1ccc(OC)c(OC)c1,C11H14O2,pos_1_1proton1isopropanol,178.099379688,ZYEMGPIYFIJGTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 1320,3382,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,KJPRLNWUNMBNBZ-QPJJXVBHSA-N,InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+,O=C/C=C/c1ccccc1,C9H8O,pos_1_1proton1isopropanol,132.057514876,KJPRLNWUNMBNBZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1321,3381,527,Shikimates and Phenylpropanoids,Coumarins,Flavonols,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1proton1ammonium,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 1322,3381,527,Shikimates and Phenylpropanoids,Coumarins,Flavonols,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1proton1ammonium,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 1323,3380,-1,,,,0.0,MS1_match,IFYYFLINQYPWGJ-UHFFFAOYSA-N,"InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3",CCCCCCC1CCC(=O)O1,C10H18O2,pos_2MHNH3,170.130679816,IFYYFLINQYPWGJ,Fatty acids,Fatty esters,Lactones,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 1324,3380,-1,,,,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MHCH3CN,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 1325,3380,-1,,,,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MHCH3CN,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1326,3380,-1,,,,0.0,MS1_match,CFNJLPHOBMVMNS-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3",CCCCCOC(=O)CCC,C9H18O2,pos_2MHCH3CN,158.130679816,CFNJLPHOBMVMNS,Fatty acids,Fatty esters,Wax monoesters,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 1327,3380,-1,,,,0.0,MS1_match,OTKQNSSMCDLVQV-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3",CCCCOC(=O)C(C)CC,C9H18O2,pos_2MHCH3CN,158.130679816,OTKQNSSMCDLVQV,Fatty acids,Fatty esters,Wax monoesters,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 1328,3379,16,Fatty acids,Octadecanoids,Other Octadecanoids,0.37789702,ISDB,AQDGYKAHAWRIDJ-ZZUCWPFQSA-N,"InChI=1S/C16H26O3/c1-2-3-4-5-6-7-9-12-15(17)13-10-8-11-14-16(18)19/h3-4,6-7,9,12,15,17H,2,5,8,10-11,13-14H2,1H3,(H,18,19)/b4-3-,7-6-,12-9+/t15-/m1/s1",CC/C=C\C/C=C\C=C\[C@@H](O)CCCCCC(=O)O,C16H26O3,,266.188194692,AQDGYKAHAWRIDJ,Fatty acids,Octadecanoids,Other Octadecanoids,Elodea canadensis,1070307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Hydrocharitaceae'],['Unknown'],['Elodea'],['Elodea canadensis'],4,3,7.011588096618652 1329,3378,-1,,,,0.0,MS1_match,UGAGPNKCDRTDHP-UHFFFAOYSA-N,"InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)",O=C(O)CCCCCCCCCCCCCCCO,C16H32O3,pos_1_1proton1acetonitrile,272.235144884,UGAGPNKCDRTDHP,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 1330,3375,465,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1isopropanol,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 1331,3375,465,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1isopropanol,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 1332,3375,465,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1isopropanol,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 1333,3375,465,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1isopropanol,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 1334,3375,465,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,UPRXEFYRIACHQZ-OMMCCPJFSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5-/t10-/m0/s1",C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,pos_1_1proton1isopropanol,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 1335,3374,-1,,,,0.0,MS1_match,BAEXUXXJQFAXLI-LSLMRWIDSA-N,"InChI=1S/C15H26O3/c1-6-14(4,17)9-7-10-15(5)11-8-12(18-15)13(2,3)16/h6-7,10,12,16-17H,1,8-9,11H2,2-5H3/b10-7-/t12-,14+,15-/m0/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O)O1,C15H26O3,pos_1_1proton1ethylamine,254.188194692,BAEXUXXJQFAXLI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 1336,3373,-1,,,,0.0,MS1_match,BAEXUXXJQFAXLI-LSLMRWIDSA-N,"InChI=1S/C15H26O3/c1-6-14(4,17)9-7-10-15(5)11-8-12(18-15)13(2,3)16/h6-7,10,12,16-17H,1,8-9,11H2,2-5H3/b10-7-/t12-,14+,15-/m0/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O)O1,C15H26O3,pos_1_1proton1methanol,254.188194692,BAEXUXXJQFAXLI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 1337,3371,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,AOGQPLXWSUTHQB-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3",CCCCCCOC(C)=O,C8H16O2,pos_2MHCH3CN,144.115029752,AOGQPLXWSUTHQB,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1338,3370,-1,,,,0.0,MS1_match,ZOJSSXJDOHFOTI-HOCLYGCPSA-N,"InChI=1S/C16H26O3/c1-12(2)6-5-11-16(3,18)14-9-7-13(8-10-14)15(17)19-4/h6-7,14,18H,5,8-11H2,1-4H3/t14-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)CCC=C(C)C)CC1,C16H26O3,pos_2MNa,266.188194692,ZOJSSXJDOHFOTI,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1339,3369,197,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ammonium,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 1340,3369,197,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ammonium,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,3,8.5 1341,3369,197,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ammonium,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,3,8.5 1342,3369,197,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ammonium,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 1343,3366,-1,,,,0.0,MS1_match,RQJUAEBONLZLLI-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(30)32-23-18-19-25-21-22-26(29)27(24-25)31-2/h18-19,21-22,24,29H,3-17,20,23H2,1-2H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)c(OC)c1,C28H46O4,pos_1_minus1proton1iron,446.339609952,RQJUAEBONLZLLI,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 1344,3366,-1,,,,0.0,MS1_match,RQJUAEBONLZLLI-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(30)32-23-18-19-25-21-22-26(29)27(24-25)31-2/h18-19,21-22,24,29H,3-17,20,23H2,1-2H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)c(OC)c1,C28H46O4,pos_1_minus1proton1iron,446.339609952,RQJUAEBONLZLLI,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 1345,3365,827,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,SXYZSPUAXKAFMK-KVBUJQIHSA-N,"InChI=1S/C22H38O13/c1-10(6-7-32-21-18(29)16(27)14(25)12(8-23)33-21)4-3-5-11(2)20(31)35-22-19(30)17(28)15(26)13(9-24)34-22/h5,10,12-19,21-30H,3-4,6-9H2,1-2H3/b11-5+/t10-,12-,13-,14-,15-,16+,17+,18-,19-,21-,22+/m1/s1",C/C(=C\CC[C@@H](C)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H38O13,pos_1_1potassium,510.231241276,SXYZSPUAXKAFMK,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,3,7.5 1346,3364,120,Terpenoids,Triterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton1isopropanol,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 1347,3363,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.5214027,ISDB,HNZUNIKWNYHEJJ-FMIVXFBMSA-N,"InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+",CC(=O)CC/C=C(\C)CCC=C(C)C,C13H22O,,194.167065324,HNZUNIKWNYHEJJ,Terpenoids,Apocarotenoids,Apocarotenoids (Ψ-),Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,10.08561086654663 1348,3363,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.5214027,ISDB,HNZUNIKWNYHEJJ-FMIVXFBMSA-N,"InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+",CC(=O)CC/C=C(\C)CCC=C(C)C,C13H22O,,194.167065324,HNZUNIKWNYHEJJ,Terpenoids,Apocarotenoids,Apocarotenoids (Ψ-),Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,10.08561086654663 1349,3363,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.5214027,ISDB,HNZUNIKWNYHEJJ-FMIVXFBMSA-N,"InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+",CC(=O)CC/C=C(\C)CCC=C(C)C,C13H22O,,194.167065324,HNZUNIKWNYHEJJ,Terpenoids,Apocarotenoids,Apocarotenoids (Ψ-),Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,10.08561086654663 1350,3361,692,Polyketides,Diterpenoids,Atisane diterpenoids,0.0,MS1_match,CFEHSRPMKSOGBC-UZEAQAOXSA-N,"InChI=1S/C24H32O6/c1-14-11-23-9-6-17(14)10-18(23)24(13-26)8-5-7-22(4,12-25)20(24)19(29-15(2)27)21(23)30-16(3)28/h12-13,17-21H,1,5-11H2,2-4H3/t17-,18+,19-,20+,21+,22-,23+,24+/m0/s1",C=C1C[C@]23CC[C@H]1C[C@H]2[C@]1(C=O)CCC[C@@](C)(C=O)[C@H]1[C@H](OC(C)=O)[C@H]3OC(C)=O,C24H32O6,pos_1_minus1proton1iron,416.219888744,CFEHSRPMKSOGBC,Terpenoids,Diterpenoids,Atisane diterpenoids,Spiraea japonica,785024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea japonica'],6,3,7.5 1351,3360,-1,,,,0.0,MS1_match,KTINUDQBMALVIX-IWVJKAJDSA-N,"InChI=1S/C31H50O6/c1-18-10-13-31(25(35)37-7)15-14-28(4)19(23(31)30(18,6)36)8-9-22-26(2)16-20(33)24(34)27(3,17-32)21(26)11-12-29(22,28)5/h8,18,20-24,32-34,36H,9-17H2,1-7H3/t18-,20-,21-,22-,23-,24-,26+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O6,pos_1_1proton1ammonium,518.3607393199999,KTINUDQBMALVIX,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 1352,3360,-1,,,,0.0,MS1_match,KTINUDQBMALVIX-IWVJKAJDSA-N,"InChI=1S/C31H50O6/c1-18-10-13-31(25(35)37-7)15-14-28(4)19(23(31)30(18,6)36)8-9-22-26(2)16-20(33)24(34)27(3,17-32)21(26)11-12-29(22,28)5/h8,18,20-24,32-34,36H,9-17H2,1-7H3/t18-,20-,21-,22-,23-,24-,26+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O6,pos_1_1proton1ammonium,518.3607393199999,KTINUDQBMALVIX,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus xanthocarpus,3907075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus xanthocarpus'],6,0,6.0 1353,3360,-1,,,,0.0,MS1_match,KTINUDQBMALVIX-IWVJKAJDSA-N,"InChI=1S/C31H50O6/c1-18-10-13-31(25(35)37-7)15-14-28(4)19(23(31)30(18,6)36)8-9-22-26(2)16-20(33)24(34)27(3,17-32)21(26)11-12-29(22,28)5/h8,18,20-24,32-34,36H,9-17H2,1-7H3/t18-,20-,21-,22-,23-,24-,26+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O6,pos_1_1proton1ammonium,518.3607393199999,KTINUDQBMALVIX,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 1354,3360,-1,,,,0.0,MS1_match,KTINUDQBMALVIX-IWVJKAJDSA-N,"InChI=1S/C31H50O6/c1-18-10-13-31(25(35)37-7)15-14-28(4)19(23(31)30(18,6)36)8-9-22-26(2)16-20(33)24(34)27(3,17-32)21(26)11-12-29(22,28)5/h8,18,20-24,32-34,36H,9-17H2,1-7H3/t18-,20-,21-,22-,23-,24-,26+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O6,pos_1_1proton1ammonium,518.3607393199999,KTINUDQBMALVIX,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus xanthocarpus,3907075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus xanthocarpus'],6,0,6.0 1355,3360,-1,,,,0.0,MS1_match,RFCWIDTZVWTUPH-FPLUOKDJSA-N,"InChI=1S/C31H50O6/c1-17-9-12-31(25(35)37-8)14-13-28(5)18(22(31)30(17,7)36)15-19(32)23-27(4)16-20(33)24(34)26(2,3)21(27)10-11-29(23,28)6/h15,17,19-24,32-34,36H,9-14,16H2,1-8H3/t17-,19-,20-,21+,22-,23-,24+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=C[C@@H](O)[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O6,pos_1_1proton1ammonium,518.3607393199999,RFCWIDTZVWTUPH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 1356,3359,-1,,,,0.0,MS1_match,UPASGSSMBIZMDX-WNENLGFLSA-N,"InChI=1S/C24H28O10/c1-31-18-12-15(4-8-17(18)26)5-9-20(27)33-13-19-21(28)22(29)23(30)24(34-19)32-11-10-14-2-6-16(25)7-3-14/h2-9,12,19,21-26,28-30H,10-11,13H2,1H3/b9-5+/t19-,21-,22+,23-,24-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C24H28O10,pos_1_1sodium,476.168247096,UPASGSSMBIZMDX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 1357,3358,-1,,,,0.0,MS1_match,NILGFPDWHHOUSF-IOLHSJAOSA-N,"InChI=1S/C27H38O11/c1-14-11-20(32)12-27(7,8)21(14)10-9-15(2)34-26-25(37-19(6)31)24(36-18(5)30)23(35-17(4)29)22(38-26)13-33-16(3)28/h9-11,15,21-26H,12-13H2,1-8H3/b10-9+/t15-,21-,22-,23-,24+,25-,26-/m1/s1",CC(=O)OC[C@H]1O[C@@H](O[C@H](C)/C=C/[C@@H]2C(C)=CC(=O)CC2(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C27H38O11,pos_1_1proton1ammonium,538.241412036,NILGFPDWHHOUSF,Terpenoids,Apocarotenoids,Megastigmanes,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 1358,3354,-1,,,,0.0,MS1_match,BVXCYBXEGSWALE-BLGCMAGHSA-N,"InChI=1S/C26H40O6/c1-16(27)31-18-13-19-23(2,3)8-7-9-25(19,5)26-11-10-24(4,15-26)20(12-17(18)26)32-22(29)14-21(28)30-6/h17-20H,7-15H2,1-6H3/t17-,18+,19+,20-,24+,25+,26+/m1/s1",COC(=O)CC(=O)O[C@@H]1C[C@@H]2[C@@H](OC(C)=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3,C26H40O6,pos_1_1proton1ethylamine,448.282489,BVXCYBXEGSWALE,Terpenoids,Diterpenoids,Villanovane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 1359,3354,-1,,,,0.0,MS1_match,KHLDBCBSYZXYCX-NSUAHFFNSA-N,"InChI=1S/C28H44O6/c1-17(2)12-23(31)34-21-13-18-19(33-24(32)15-22(29)30)14-20-25(3,4)8-7-9-27(20,6)28(18)11-10-26(21,5)16-28/h17-21H,7-16H2,1-6H3,(H,29,30)/t18-,19+,20+,21-,26+,27+,28+/m1/s1",CC(C)CC(=O)O[C@@H]1C[C@@H]2[C@@H](OC(=O)CC(=O)O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3,C28H44O6,pos_1_1proton1ammonium,476.313789128,KHLDBCBSYZXYCX,Terpenoids,Diterpenoids,Villanovane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 1360,3352,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1isopropanol,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 1361,3352,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1isopropanol,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 1362,3352,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1isopropanol,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 1363,3352,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1isopropanol,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 1364,3352,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,UPRXEFYRIACHQZ-OMMCCPJFSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5-/t10-/m0/s1",C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,pos_1_1proton1isopropanol,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 1365,3350,498,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,JUFKQNCQDFHWFD-AATRIKPKSA-N,"InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,10-11,14-15H,7-8H2,1-4H3/b6-5+",CC1=C(/C=C/C(C)O)C(C)(C)CC(O)C1,C13H22O2,pos_1_1proton1methanol,210.161979944,JUFKQNCQDFHWFD,Terpenoids,Apocarotenoids,Megastigmanes,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 1366,3350,498,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,JUFKQNCQDFHWFD-AATRIKPKSA-N,"InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,10-11,14-15H,7-8H2,1-4H3/b6-5+",CC1=C(/C=C/C(C)O)C(C)(C)CC(O)C1,C13H22O2,pos_1_1proton1methanol,210.161979944,JUFKQNCQDFHWFD,Terpenoids,Apocarotenoids,Megastigmanes,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 1367,3349,-1,,,,0.0,MS1_match,QWCOEYNCDIXGMI-FWANMBCFSA-N,"InChI=1S/C24H42O11/c1-13-6-5-8-22(3,4)24(13,31)9-7-14(2)34-20-18(28)17(27)16(26)15(35-20)10-32-21-19(29)23(30,11-25)12-33-21/h6,14-21,25-31H,5,7-12H2,1-4H3/t14-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CCCC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H42O11,pos_1_1proton1acetonitrile,506.272712164,QWCOEYNCDIXGMI,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 1368,3349,-1,,,,0.0,MS1_match,QWCOEYNCDIXGMI-FWANMBCFSA-N,"InChI=1S/C24H42O11/c1-13-6-5-8-22(3,4)24(13,31)9-7-14(2)34-20-18(28)17(27)16(26)15(35-20)10-32-21-19(29)23(30,11-25)12-33-21/h6,14-21,25-31H,5,7-12H2,1-4H3/t14-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CCCC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H42O11,pos_1_1proton1acetonitrile,506.272712164,QWCOEYNCDIXGMI,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 1369,3349,-1,,,,0.0,MS1_match,FFYPJOJFUJFYAT-AWZIMYOFSA-N,"InChI=1S/C24H38O11/c1-11-7-13(25)8-24(3,4)14(11)6-5-12(2)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h5-7,12,14-23,26-31H,8-10H2,1-4H3/b6-5+/t12-,14+,15-,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_1proton1ethylamine,502.241412036,FFYPJOJFUJFYAT,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 1370,3349,-1,,,,0.0,MS1_match,DQQUPMXQGJRNAW-HYPVQEEESA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_1proton1ethylamine,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 1371,3349,-1,,,,0.0,MS1_match,DQQUPMXQGJRNAW-HYPVQEEESA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_1proton1ethylamine,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 1372,3348,-1,,,,0.40482897,ISDB,KDNYVXLYMQKQHH-HDLXCGEYSA-N,"InChI=1S/C20H32O/c1-6-15(2)8-10-17-16(3)9-11-18-19(4,14-21)12-7-13-20(17,18)5/h6,8,17-18,21H,1,3,7,9-14H2,2,4-5H3/b15-8+/t17-,18+,19+,20-/m0/s1",C=C/C(C)=C/C[C@H]1C(=C)CC[C@@H]2[C@@](C)(CO)CCC[C@]21C,C20H32O,,288.245315644,KDNYVXLYMQKQHH,Terpenoids,Diterpenoids,Labdane diterpenoids,Artocarpus integer,658517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Artocarpus'],['Artocarpus integer'],5,0,6.61931586265564 1373,3346,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.44242546,ISDB,HLUTZZRCDYPATC-FZYQUXMESA-N,"InChI=1S/C23H26O10/c24-15-5-1-13(2-6-15)9-10-31-23-22(30)21(29)20(28)18(33-23)12-32-19(27)8-4-14-3-7-16(25)17(26)11-14/h1-8,11,18,20-26,28-30H,9-10,12H2/b8-4+/t18-,20-,21+,22-,23-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C23H26O10,,462.152597032,HLUTZZRCDYPATC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,11.269701838493347 1374,3345,-1,,,,0.0,MS1_match,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,pos_1_1proton1isopropanol,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 1375,3345,-1,,,,0.0,MS1_match,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,pos_1_1proton1isopropanol,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 1376,3345,-1,,,,0.0,MS1_match,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,pos_1_1proton1isopropanol,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1377,3344,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-UHFFFAOYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)",O=C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O,C21H18O12,pos_1_1proton,462.079826016,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 1378,3344,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-UHFFFAOYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)",O=C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O,C21H18O12,pos_1_1proton,462.079826016,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 1379,3343,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton1isopropanol,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1380,3342,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1methanol,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 1381,3342,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1methanol,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 1382,3342,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1methanol,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 1383,3342,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1methanol,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 1384,3342,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,UPRXEFYRIACHQZ-OMMCCPJFSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5-/t10-/m0/s1",C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,pos_1_1proton1methanol,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 1385,3341,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-VOTSOKGWSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",O=C(O)/C=C/c1ccccc1,C9H8O2,pos_1_1proton1isopropanol,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1386,3340,-1,,,,0.0,MS1_match,KHLDBCBSYZXYCX-NSUAHFFNSA-N,"InChI=1S/C28H44O6/c1-17(2)12-23(31)34-21-13-18-19(33-24(32)15-22(29)30)14-20-25(3,4)8-7-9-27(20,6)28(18)11-10-26(21,5)16-28/h17-21H,7-16H2,1-6H3,(H,29,30)/t18-,19+,20+,21-,26+,27+,28+/m1/s1",CC(C)CC(=O)O[C@@H]1C[C@@H]2[C@@H](OC(=O)CC(=O)O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3,C28H44O6,pos_1_minus1proton1iron,476.313789128,KHLDBCBSYZXYCX,Terpenoids,Diterpenoids,Villanovane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 1387,3338,-1,,,,0.0,MS1_match,FWHJRKHBZLMKQW-DZLOKQDQSA-N,"InChI=1S/C16H20O9/c1-25-12-6-8(2-4-9(12)18)3-5-10(19)13(21)15(23)16(24)14(22)11(20)7-17/h2-6,11,14-18,20,22-24H,7H2,1H3/b5-3+/t11-,14-,15+,16+/m1/s1",COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H20O9,pos_1_1proton1acetonitrile,356.1107322199999,FWHJRKHBZLMKQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1388,3338,-1,,,,0.0,MS1_match,ADHNTNYEJYJUCU-ZSJFXSENSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-15-14(21)13(20)11(7-17)24-16(15)22/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16?/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O,C16H20O9,pos_1_1proton1acetonitrile,356.11073222,ADHNTNYEJYJUCU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1389,3334,-1,,,,0.0,MS1_match,AKCWKACKPGSALW-MJLBXUHQSA-N,"InChI=1S/C20H34O4/c1-7-20(6,23)13-9-12-17(11-8-10-16(2)3)15-24-18(21)14-19(4,5)22/h7,10,12,22-23H,1,8-9,11,13-15H2,2-6H3/b17-12-/t20-/m1/s1",C=C[C@@](C)(O)CC/C=C(/CCC=C(C)C)COC(=O)CC(C)(C)O,C20H34O4,pos_1_1proton1ammonium,338.245709568,AKCWKACKPGSALW,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,0,7.0 1390,3332,-1,,,,0.0,MS1_match,DKHSNOLJPXJJMD-GQDNDFQBSA-N,"InChI=1S/C26H26O17/c27-6-13-15(32)19(36)25(40-13)43-24(38)23-18(35)17(34)20(37)26(42-23)41-22-16(33)14-11(31)4-8(28)5-12(14)39-21(22)7-1-2-9(29)10(30)3-7/h1-5,13,15,17-20,23,25-32,34-37H,6H2/t13-,15+,17+,18+,19-,20-,23+,25+,26-/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C26H26O17,pos_1_1sodium,610.116999372,DKHSNOLJPXJJMD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus idaeus,156929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus idaeus'],6,0,6.0 1391,3332,-1,,,,0.0,MS1_match,DKHSNOLJPXJJMD-GQDNDFQBSA-N,"InChI=1S/C26H26O17/c27-6-13-15(32)19(36)25(40-13)43-24(38)23-18(35)17(34)20(37)26(42-23)41-22-16(33)14-11(31)4-8(28)5-12(14)39-21(22)7-1-2-9(29)10(30)3-7/h1-5,13,15,17-20,23,25-32,34-37H,6H2/t13-,15+,17+,18+,19-,20-,23+,25+,26-/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C26H26O17,pos_1_1sodium,610.116999372,DKHSNOLJPXJJMD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus,972648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Unknown'],6,0,6.0 1392,3331,-1,,,,0.0,MS1_match,KLDQRYHKZZCLKR-SSLCBRODSA-N,"InChI=1S/C15H18O10/c16-8-3-1-7(5-9(8)17)2-4-11(18)25-23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OOC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O10,pos_1_1proton1acetonitrile,358.089996776,KLDQRYHKZZCLKR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1393,3329,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,XMXGGPVFYCGIQV-LZWOXQAQSA-N,"InChI=1S/C16H26O4/c1-11(2)14(17)9-10-16(3,19)13-7-5-12(6-8-13)15(18)20-4/h5,13-14,17,19H,1,6-10H2,2-4H3/t13-,14+,16-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC=C(C(=O)OC)CC1,C16H26O4,pos_1_1proton1ethylamine,282.183109312,XMXGGPVFYCGIQV,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,2,7.0 1394,3329,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,AAXHRFJECJMASC-ZVZLTRKCSA-N,"InChI=1S/C16H26O4/c1-15(2,18)10-5-11-16(3,19)13-8-6-12(7-9-13)14(17)20-4/h5-6,10,13,18-19H,7-9,11H2,1-4H3/b10-5+/t13-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC1,C16H26O4,pos_1_1proton1ethylamine,282.183109312,AAXHRFJECJMASC,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,2,7.0 1395,3328,-1,,,,0.0,MS1_match,YYLLIJHXUHJATK-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3",CC(=O)OC1CCCCC1,C8H14O2,pos_2MNa,142.099379688,YYLLIJHXUHJATK,,,,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1396,3328,-1,,,,0.0,MS1_match,NPFVOOAXDOBMCE-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3",CCC=CCCOC(C)=O,C8H14O2,pos_2MNa,142.099379688,NPFVOOAXDOBMCE,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1397,3327,-1,,,,0.5486443,ISDB,MLRBNIXMTWSDJU-UHFFFAOYSA-N,"InChI=1S/C11H10O/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h1-8H,9H2",c1ccc(Cc2ccco2)cc1,C11H10O,,158.07316494,MLRBNIXMTWSDJU,Polyketides,Cyclic polyketides,Furans,Polygala senega,702770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Polygalaceae'],['Unknown'],['Polygala'],['Polygala senega'],4,0,6.194577217102051 1398,3326,843,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,MZNYSUAHCQZTCI-JTVAWUQMSA-N,"InChI=1S/C25H32O10/c1-32-20-4-3-12(6-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19+,22-,23-,24+,25+/m0/s1",COc1ccc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1O,C25H32O10,pos_1_1proton1ammonium,492.199547224,MZNYSUAHCQZTCI,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 1399,3325,-1,,,,0.0,MS1_match,BAEXUXXJQFAXLI-LSLMRWIDSA-N,"InChI=1S/C15H26O3/c1-6-14(4,17)9-7-10-15(5)11-8-12(18-15)13(2,3)16/h6-7,10,12,16-17H,1,8-9,11H2,2-5H3/b10-7-/t12-,14+,15-/m0/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O)O1,C15H26O3,pos_2MHCH3CN,254.188194692,BAEXUXXJQFAXLI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 1400,3325,-1,,,,0.0,MS1_match,CDPOJDDWXIJFPO-JZQNBJMNSA-N,"InChI=1S/C30H48O6/c1-25(16-31)10-12-30(24(35)36)13-11-28(4)18(19(30)14-25)6-7-22-26(2)15-20(33)23(34)27(3,17-32)21(26)8-9-29(22,28)5/h6,19-23,31-34H,7-17H2,1-5H3,(H,35,36)/t19-,20+,21+,22+,23-,25+,26-,27-,28+,29+,30-/m0/s1",C[C@@]1(CO)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O6,pos_1_1proton1ethylamine,504.345089256,CDPOJDDWXIJFPO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Photinia serrulata,7056912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia bodinieri'],7,0,7.0 1401,3325,-1,,,,0.0,MS1_match,CDPOJDDWXIJFPO-JZQNBJMNSA-N,"InChI=1S/C30H48O6/c1-25(16-31)10-12-30(24(35)36)13-11-28(4)18(19(30)14-25)6-7-22-26(2)15-20(33)23(34)27(3,17-32)21(26)8-9-29(22,28)5/h6,19-23,31-34H,7-17H2,1-5H3,(H,35,36)/t19-,20+,21+,22+,23-,25+,26-,27-,28+,29+,30-/m0/s1",C[C@@]1(CO)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O6,pos_1_1proton1ethylamine,504.345089256,CDPOJDDWXIJFPO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Photinia serratifolia,653082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia serratifolia'],7,0,7.0 1402,3325,-1,,,,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 1403,3325,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,0,7.0 1404,3325,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,0,7.0 1405,3325,-1,,,,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 1406,3324,498,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,JUFKQNCQDFHWFD-AATRIKPKSA-N,"InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,10-11,14-15H,7-8H2,1-4H3/b6-5+",CC1=C(/C=C/C(C)O)C(C)(C)CC(O)C1,C13H22O2,pos_1_1proton1isopropanol,210.161979944,JUFKQNCQDFHWFD,Terpenoids,Apocarotenoids,Megastigmanes,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 1407,3324,498,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,JUFKQNCQDFHWFD-AATRIKPKSA-N,"InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,10-11,14-15H,7-8H2,1-4H3/b6-5+",CC1=C(/C=C/C(C)O)C(C)(C)CC(O)C1,C13H22O2,pos_1_1proton1isopropanol,210.161979944,JUFKQNCQDFHWFD,Terpenoids,Apocarotenoids,Megastigmanes,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 1408,3323,-1,,,,0.0,MS1_match,UGAGPNKCDRTDHP-UHFFFAOYSA-N,"InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)",O=C(O)CCCCCCCCCCCCCCCO,C16H32O3,pos_1_1proton1acetonitrile,272.235144884,UGAGPNKCDRTDHP,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 1409,3322,-1,,,,0.0,MS1_match,BAEXUXXJQFAXLI-LSLMRWIDSA-N,"InChI=1S/C15H26O3/c1-6-14(4,17)9-7-10-15(5)11-8-12(18-15)13(2,3)16/h6-7,10,12,16-17H,1,8-9,11H2,2-5H3/b10-7-/t12-,14+,15-/m0/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O)O1,C15H26O3,pos_1_1proton1ammonium,254.188194692,BAEXUXXJQFAXLI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 1410,3321,325,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1methanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,1,8.5 1411,3321,325,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1methanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,1,8.5 1412,3320,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSNLTHGWURXRJK-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-10(18)8(3)4-11(9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C(C)C)cc1O,C16H24O7,pos_1_1proton1acetonitrile,328.152203108,KSNLTHGWURXRJK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 1413,3320,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSNLTHGWURXRJK-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-10(18)8(3)4-11(9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C(C)C)cc1O,C16H24O7,pos_1_1proton1acetonitrile,328.152203108,KSNLTHGWURXRJK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 1414,3320,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XFPSRAYOBUHKRV-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O7,pos_1_1proton1acetonitrile,328.152203108,XFPSRAYOBUHKRV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 1415,3320,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XFPSRAYOBUHKRV-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O7,pos_1_1proton1acetonitrile,328.152203108,XFPSRAYOBUHKRV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 1416,3320,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVIMGJNXHLZBTF-DULWLVQZSA-N,"InChI=1S/C37H58O12/c1-18-10-13-37(31(45)49-29-26(42)25(41)24(40)21(17-38)48-29)15-14-33(3)19(27(37)36(18,6)46)8-9-22-32(2)16-20(39)28(43)35(5,30(44)47-7)23(32)11-12-34(22,33)4/h8,18,20-29,38-43,46H,9-17H2,1-7H3/t18-,20-,21-,22-,23-,24-,25+,26-,27-,28+,29+,32-,33-,34-,35-,36-,37+/m1/s1",COC(=O)[C@]1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@H]5[C@](C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)(CC[C@@H](C)[C@@]5(C)O)CC[C@]43C)[C@@]2(C)C[C@@H](O)[C@@H]1O,C37H58O12,pos_2_2sodium,694.3928272960001,JVIMGJNXHLZBTF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus xanthocarpus,3907075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus xanthocarpus'],6,0,6.0 1417,3320,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZLQJSQHBPRDGHQ-KDLNVPEYSA-N,"InChI=1S/C37H58O12/c1-18-10-13-37(31(45)49-29-25(41)26(47-7)24(40)21(17-38)48-29)15-14-33(3)19(27(37)36(18,6)46)8-9-22-32(2)16-20(39)28(42)35(5,30(43)44)23(32)11-12-34(22,33)4/h8,18,20-29,38-42,46H,9-17H2,1-7H3,(H,43,44)/t18-,20-,21-,22-,23-,24-,25-,26+,27-,28+,29+,32-,33-,34-,35-,36-,37+/m1/s1",CO[C@@H]1[C@@H](O)[C@H](OC(=O)[C@]23CC[C@@H](C)[C@@](C)(O)[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)O[C@H](CO)[C@H]1O,C37H58O12,pos_2_2sodium,694.392827296,ZLQJSQHBPRDGHQ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus pileatus,3907634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pileatus'],6,0,6.0 1418,3320,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XEUKDBBIRQPYCL-DULWLVQZSA-N,"InChI=1S/C37H58O12/c1-18-10-13-37(31(45)49-29-26(41)25(40)24(39)21(48-29)17-47-7)15-14-33(3)19(27(37)36(18,6)46)8-9-22-32(2)16-20(38)28(42)35(5,30(43)44)23(32)11-12-34(22,33)4/h8,18,20-29,38-42,46H,9-17H2,1-7H3,(H,43,44)/t18-,20-,21-,22-,23-,24-,25+,26-,27-,28+,29+,32-,33-,34-,35-,36-,37+/m1/s1",COC[C@H]1O[C@@H](OC(=O)[C@]23CC[C@@H](C)[C@@](C)(O)[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[C@H](O)[C@@H](O)[C@@H]1O,C37H58O12,pos_2_2sodium,694.392827296,XEUKDBBIRQPYCL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus pileatus,3907634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pileatus'],6,0,6.0 1419,3320,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IBXRQQBJPCVMCM-OSHKXICASA-N,"InChI=1S/C32H48O14/c1-29-6-3-7-30(2,28(42)45-26-24(40)22(38)20(36)16(12-34)43-26)18(29)4-8-31-10-15(11-33)32(14-31,9-5-19(29)31)46-27-25(41)23(39)21(37)17(13-35)44-27/h10-11,16-27,34-41H,3-9,12-14H2,1-2H3/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1",C[C@@]12CCC[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]1CC[C@]13C=C(C=O)[C@](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)(CC[C@H]12)C3,C32H48O14,pos_2_2proton2acetonitrile,656.304406216,IBXRQQBJPCVMCM,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 1420,3316,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.52219826,ISDB,CRDAMVZIKSXKFV-UHFFFAOYSA-N,"InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3",CC(C)=CCCC(C)=CCCC(C)=CCO,C15H26O,,222.198365452,CRDAMVZIKSXKFV,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,10.0887930393219 1421,3316,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.52219826,ISDB,CRDAMVZIKSXKFV-YFVJMOTDSA-N,"InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CO,C15H26O,,222.198365452,CRDAMVZIKSXKFV,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Potentilla,187939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Unknown'],8,0,10.0887930393219 1422,3315,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6871465,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,12.248585939407349 1423,3315,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6871465,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,12.248585939407349 1424,3315,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6871465,ISDB,CXQWRCVTCMQVQX-UHFFFAOYSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],8,3,12.248585939407349 1425,3315,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6871465,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,12.248585939407349 1426,3315,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6871465,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,12.248585939407349 1427,3315,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6871465,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,3,12.248585939407349 1428,3315,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6871465,ISDB,CXQWRCVTCMQVQX-UHFFFAOYSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,3,12.248585939407349 1429,3315,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6871465,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus fruticosa,821200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus fruticosa'],8,3,12.248585939407349 1430,3314,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.28683063,ISDB,JWGGSJFIGIGFSQ-UHFFFAOYSA-N,"InChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14(17)18/h2-12H2,1H3,(H,15,16)(H,17,18)",CCCCCCCCCCCC(=O)NCC(=O)O,C14H27NO3,,257.199093724,JWGGSJFIGIGFSQ,Fatty acids,Fatty amides,N-acyl amines,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],1,0,2.1473225355148315 1431,3310,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 1432,3310,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1433,3310,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 1434,3310,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 1435,3310,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 1436,3309,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,MROVETGJOLYNJI-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3",C=C(C)C1CCC2(C)C(=C(C)C(=O)CC2O)C1,C15H22O2,pos_1_1proton1methanol,234.161979944,MROVETGJOLYNJI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,3,8.5 1437,3309,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,MROVETGJOLYNJI-KCPJHIHWSA-N,"InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3/t11-,14-,15-/m1/s1",C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C(=O)C[C@H]2O)C1,C15H22O2,pos_1_1proton1methanol,234.161979944,MROVETGJOLYNJI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,3,8.5 1438,3306,-1,,,,0.0,MS1_match,FMTPULGTIHBJRT-BBRBLNSOSA-N,"InChI=1S/C30H44O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,16-17,20-22,31,35H,9-15H2,1-7H3,(H,33,34)/t17-,20+,21-,22-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H44O5,pos_2MMg,484.3188745079999,FMTPULGTIHBJRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus irenaeus,539746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus irenaeus'],6,0,6.0 1439,3306,-1,,,,0.0,MS1_match,FMTPULGTIHBJRT-BBRBLNSOSA-N,"InChI=1S/C30H44O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,16-17,20-22,31,35H,9-15H2,1-7H3,(H,33,34)/t17-,20+,21-,22-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H44O5,pos_2MMg,484.3188745079999,FMTPULGTIHBJRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 1440,3306,-1,,,,0.0,MS1_match,FMTPULGTIHBJRT-DQPKOTBQSA-N,"InChI=1S/C30H44O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,16-17,20-22,31,35H,9-15H2,1-7H3,(H,33,34)/t17-,20-,21-,22-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H44O5,pos_2MMg,484.318874508,FMTPULGTIHBJRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus chingii,922368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 1441,3306,-1,,,,0.0,MS1_match,FMTPULGTIHBJRT-BBRBLNSOSA-N,"InChI=1S/C30H44O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,16-17,20-22,31,35H,9-15H2,1-7H3,(H,33,34)/t17-,20+,21-,22-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H44O5,pos_2MMg,484.3188745079999,FMTPULGTIHBJRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1442,3306,-1,,,,0.0,MS1_match,FMTPULGTIHBJRT-BBRBLNSOSA-N,"InChI=1S/C30H44O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,16-17,20-22,31,35H,9-15H2,1-7H3,(H,33,34)/t17-,20+,21-,22-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H44O5,pos_2MMg,484.3188745079999,FMTPULGTIHBJRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus irenaeus,539746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus irenaeus'],6,0,6.0 1443,3306,-1,,,,0.0,MS1_match,FMTPULGTIHBJRT-BBRBLNSOSA-N,"InChI=1S/C30H44O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,16-17,20-22,31,35H,9-15H2,1-7H3,(H,33,34)/t17-,20+,21-,22-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H44O5,pos_2MMg,484.3188745079999,FMTPULGTIHBJRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 1444,3306,-1,,,,0.0,MS1_match,FMTPULGTIHBJRT-DQPKOTBQSA-N,"InChI=1S/C30H44O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,16-17,20-22,31,35H,9-15H2,1-7H3,(H,33,34)/t17-,20-,21-,22-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H44O5,pos_2MMg,484.318874508,FMTPULGTIHBJRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus chingii,922368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 1445,3306,-1,,,,0.0,MS1_match,FMTPULGTIHBJRT-BBRBLNSOSA-N,"InChI=1S/C30H44O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,16-17,20-22,31,35H,9-15H2,1-7H3,(H,33,34)/t17-,20+,21-,22-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H44O5,pos_2MMg,484.3188745079999,FMTPULGTIHBJRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1446,3306,-1,,,,0.0,MS1_match,HXCBGVHGWXQGBN-YGKWGGPRSA-N,"InChI=1S/C30H44O5/c1-17-8-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)16-19(31)23-26(4)11-10-21(32)25(2,3)20(26)9-12-28(23,27)6/h16-17,20,22-23,35H,8-15H2,1-7H3,(H,33,34)/t17-,20+,22-,23-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H44O5,pos_2MMg,484.318874508,HXCBGVHGWXQGBN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 1447,3305,465,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,BAEXUXXJQFAXLI-LSLMRWIDSA-N,"InChI=1S/C15H26O3/c1-6-14(4,17)9-7-10-15(5)11-8-12(18-15)13(2,3)16/h6-7,10,12,16-17H,1,8-9,11H2,2-5H3/b10-7-/t12-,14+,15-/m0/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O)O1,C15H26O3,pos_1_1proton1methanol,254.188194692,BAEXUXXJQFAXLI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,2,8.0 1448,3303,46,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PNRKIXSZTUCIJN-UJPOAAIJSA-N,"InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-2-1-3-8(15)4-7/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O7,pos_1_1proton1ethylamine,286.105252916,PNRKIXSZTUCIJN,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,1,8.5 1449,3303,46,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SIXFVXJMCGPTRB-UHFFFAOYSA-N,"InChI=1S/C13H18O7/c1-18-7-2-4-8(5-3-7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3",COc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,C13H18O7,pos_1_1proton1ethylamine,286.105252916,SIXFVXJMCGPTRB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Vauquelinia,1023054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Vauquelinia'],['Unknown'],7,3,8.5 1450,3303,46,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SIXFVXJMCGPTRB-UJPOAAIJSA-N,"InChI=1S/C13H18O7/c1-18-7-2-4-8(5-3-7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3/t9-,10-,11+,12-,13-/m1/s1",COc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H18O7,pos_1_1proton1ethylamine,286.105252916,SIXFVXJMCGPTRB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Vauquelinia corymbosa,1085086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Vauquelinia'],['Vauquelinia corymbosa'],7,3,8.5 1451,3303,46,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SIXFVXJMCGPTRB-UJPOAAIJSA-N,"InChI=1S/C13H18O7/c1-18-7-2-4-8(5-3-7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3/t9-,10-,11+,12-,13-/m1/s1",COc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H18O7,pos_1_1proton1ethylamine,286.105252916,SIXFVXJMCGPTRB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],7,3,8.5 1452,3301,-1,,,,0.6804211,ISDB,AFDXODALSZRGIH-QPJJXVBHSA-N,"InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+",COc1ccc(/C=C/C(=O)O)cc1,C10H10O3,,178.06299418,AFDXODALSZRGIH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea salicifolia,437899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea salicifolia'],6,0,8.721684455871582 1453,3300,-1,,,,0.0,MS1_match,BAEXUXXJQFAXLI-LSLMRWIDSA-N,"InChI=1S/C15H26O3/c1-6-14(4,17)9-7-10-15(5)11-8-12(18-15)13(2,3)16/h6-7,10,12,16-17H,1,8-9,11H2,2-5H3/b10-7-/t12-,14+,15-/m0/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O)O1,C15H26O3,pos_1_1proton1ethylamine,254.188194692,BAEXUXXJQFAXLI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 1454,3299,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,XMXGGPVFYCGIQV-LZWOXQAQSA-N,"InChI=1S/C16H26O4/c1-11(2)14(17)9-10-16(3,19)13-7-5-12(6-8-13)15(18)20-4/h5,13-14,17,19H,1,6-10H2,2-4H3/t13-,14+,16-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC=C(C(=O)OC)CC1,C16H26O4,pos_1_1proton1ammonium,282.183109312,XMXGGPVFYCGIQV,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,2,7.0 1455,3299,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.0,MS1_match,AAXHRFJECJMASC-ZVZLTRKCSA-N,"InChI=1S/C16H26O4/c1-15(2,18)10-5-11-16(3,19)13-8-6-12(7-9-13)14(17)20-4/h5-6,10,13,18-19H,7-9,11H2,1-4H3/b10-5+/t13-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC1,C16H26O4,pos_1_1proton1ammonium,282.183109312,AAXHRFJECJMASC,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,2,7.0 1456,3298,-1,,,,0.0,MS1_match,MKXVLYPJBLBGIO-RRGRKSGHSA-N,"InChI=1S/C16H24O8/c1-8(2)5-10-4-3-9(15(21)23-10)7-22-16-14(20)13(19)12(18)11(6-17)24-16/h3,5,10-14,16-20H,4,6-7H2,1-2H3/t10-,11+,12+,13-,14+,16+/m0/s1",CC(C)=C[C@@H]1CC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1,C16H24O8,pos_1_1proton1ethylamine,344.147117728,MKXVLYPJBLBGIO,Terpenoids,Monoterpenoids,Irregular monoterpenoids,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 1457,3298,-1,,,,0.0,MS1_match,MKXVLYPJBLBGIO-RRGRKSGHSA-N,"InChI=1S/C16H24O8/c1-8(2)5-10-4-3-9(15(21)23-10)7-22-16-14(20)13(19)12(18)11(6-17)24-16/h3,5,10-14,16-20H,4,6-7H2,1-2H3/t10-,11+,12+,13-,14+,16+/m0/s1",CC(C)=C[C@@H]1CC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1,C16H24O8,pos_1_1proton1ethylamine,344.147117728,MKXVLYPJBLBGIO,Terpenoids,Monoterpenoids,Irregular monoterpenoids,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 1458,3298,-1,,,,0.0,MS1_match,AYOGZIXAHOAPOK-QKAQTOFFSA-N,"InChI=1S/C16H24O8/c1-8(2)5-10-6-9(15(21)23-10)3-4-22-16-14(20)13(19)12(18)11(7-17)24-16/h3,5,10-14,16-20H,4,6-7H2,1-2H3/b9-3-/t10-,11+,12+,13-,14+,16+/m0/s1",CC(C)=C[C@H]1C/C(=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1,C16H24O8,pos_1_1proton1ethylamine,344.147117728,AYOGZIXAHOAPOK,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Sibiraea angustata,1004734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Sibiraea'],['Sibiraea angustata'],6,0,6.0 1459,3297,-1,,,,0.0,MS1_match,XUCIJNAGGSZNQT-UUGBRMIUSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_1_1proton1ethylamine,457.158410684,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 1460,3297,-1,,,,0.0,MS1_match,XUCIJNAGGSZNQT-UUGBRMIUSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_1_1proton1ethylamine,457.158410684,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 1461,3297,-1,,,,0.0,MS1_match,XUCIJNAGGSZNQT-UUGBRMIUSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_1_1proton1ethylamine,457.158410684,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 1462,3296,-1,,,,0.0,MS1_match,LLEMMFPELBNINR-SKYGPZSASA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C19H28O11,pos_1_1proton1ethylamine,432.163161716,LLEMMFPELBNINR,,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 1463,3296,-1,,,,0.0,MS1_match,LLEMMFPELBNINR-SKYGPZSASA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C19H28O11,pos_1_1proton1ethylamine,432.163161716,LLEMMFPELBNINR,,,,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1464,3296,-1,,,,0.0,MS1_match,LLEMMFPELBNINR-SKYGPZSASA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C19H28O11,pos_1_1proton1ethylamine,432.163161716,LLEMMFPELBNINR,,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1465,3295,-1,,,,0.0,MS1_match,LGPUIKWJKFIAIH-LJKDYDQHSA-N,"InChI=1S/C26H30N2O12/c27-9-15(13-5-2-1-3-6-13)38-26-23(34)21(32)19(30)17(40-26)12-37-25-22(33)20(31)18(29)16(39-25)11-36-24(35)14-7-4-8-28-10-14/h1-8,10,15-23,25-26,29-34H,11-12H2/t15-,16+,17+,18+,19+,20-,21-,22+,23+,25+,26+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](COC(=O)c3cccnc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C26H30N2O12,pos_2_1calcium,562.1798743999999,LGPUIKWJKFIAIH,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 1466,3294,740,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,DCWOIJNXHXDCKT-UHFFFAOYSA-N,"InChI=1S/C25H33NO5/c1-14(22(28)17(4)27)9-8-12-19-23(29)16(3)15(2)21-20(26-24(30)25(19,21)31)13-18-10-6-5-7-11-18/h5-8,10-12,14,17,19-21,23,27,29,31H,9,13H2,1-4H3,(H,26,30)",CC1=C(C)C2C(Cc3ccccc3)NC(=O)C2(O)C(C=CCC(C)C(=O)C(C)O)C1O,C25H33NO5,pos_1_minus1proton1calcium,427.235873156,DCWOIJNXHXDCKT,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],6,3,7.5 1467,3294,740,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,XKLGDBFKKUIZTH-UHFFFAOYSA-N,"InChI=1S/C25H33NO5/c1-14(22(28)17(4)27)9-8-12-19-23(29)16(3)15(2)21-20(26-24(30)25(19,21)31)13-18-10-6-5-7-11-18/h5-8,10-12,14-15,17,19-21,23,27,29,31H,3,9,13H2,1-2,4H3,(H,26,30)",C=C1C(C)C2C(Cc3ccccc3)NC(=O)C2(O)C(C=CCC(C)C(=O)C(C)O)C1O,C25H33NO5,pos_1_minus1proton1calcium,427.235873156,XKLGDBFKKUIZTH,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],6,3,7.5 1468,3294,740,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,RQWVQCYJRCZFED-UHFFFAOYSA-N,"InChI=1S/C25H33NO5/c1-14(22(28)17(4)27)9-8-12-19-23(29)16(3)15(2)21-20(26-24(30)25(19,21)31)13-18-10-6-5-7-11-18/h5-8,10-12,14,19-23,28-29,31H,9,13H2,1-4H3,(H,26,30)",CC(=O)C(O)C(C)CC=CC1C(O)C(C)=C(C)C2C(Cc3ccccc3)NC(=O)C12O,C25H33NO5,pos_1_minus1proton1calcium,427.235873156,RQWVQCYJRCZFED,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],6,3,7.5 1469,3293,-1,,,,0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton1isopropanol,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 1470,3293,-1,,,,0.0,MS1_match,NPFVOOAXDOBMCE-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3",CCC=CCCOC(C)=O,C8H14O2,pos_2MH,142.099379688,NPFVOOAXDOBMCE,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1471,3293,-1,,,,0.0,MS1_match,YYLLIJHXUHJATK-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3",CC(=O)OC1CCCCC1,C8H14O2,pos_2MH,142.099379688,YYLLIJHXUHJATK,,,,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1472,3292,650,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,JAELLLITIZHOGQ-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-5-6(8)9-7(2,3)4/h5H2,1-4H3",CCC(=O)OC(C)(C)C,C7H14O2,pos_2MHCH3CN,130.099379688,JAELLLITIZHOGQ,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1473,3292,650,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,HUAZGNHGCJGYNP-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3",CCCOC(=O)CCC,C7H14O2,pos_2MHCH3CN,130.099379688,HUAZGNHGCJGYNP,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1474,3292,650,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,PGMYKACGEOXYJE-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3",CCCCCOC(C)=O,C7H14O2,pos_2MHCH3CN,130.099379688,PGMYKACGEOXYJE,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1475,3292,650,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,NPFVOOAXDOBMCE-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3",CCC=CCCOC(C)=O,C8H14O2,pos_2MHNH3,142.099379688,NPFVOOAXDOBMCE,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1476,3291,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_2_2proton,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1477,3289,120,Terpenoids,Triterpenoids,Eudesmane sesquiterpenoids,0.6997094,ISDB,STIYXYABWPDGCS-PRLTYNAASA-N,"InChI=1S/C16H24O2/c1-9-5-6-13(17)16(4)8-7-12-10(2)11(3)18-15(12)14(9)16/h5,10,12-15,17H,3,6-8H2,1-2,4H3/t10-,12+,13-,14-,15+,16+/m1/s1",C=C1O[C@H]2[C@@H](CC[C@@]3(C)[C@H](O)CC=C(C)[C@H]23)[C@@H]1C,C16H24O2,,248.177630008,STIYXYABWPDGCS,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Artemisia inculta,969157.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia inculta'],4,3,8.298837661743164 1478,3286,-1,,,,0.52991587,ISDB,PPDQWYOCNSWEMD-RKVCGOANSA-N,"InChI=1S/C20H20O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28H,6H2/t13-,15-,17+,18+,19-,20-/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O,C20H20O11,,436.10056146,PPDQWYOCNSWEMD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,8.11966347694397 1479,3284,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,IHWHGPUDYPIVLL-BFMJJVGDSA-N,"InChI=1S/C20H28O13/c21-6-9-11(22)13(24)15(26)19(31-9)30-7-10-12(23)14(25)16(27)20(32-10)33-17(18(28)29)8-4-2-1-3-5-8/h1-5,9-17,19-27H,6-7H2,(H,28,29)/t9-,10-,11-,12-,13+,14+,15-,16-,17-,19-,20+/m1/s1",O=C(O)[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H28O13,pos_1_1proton1ammonium,476.152990956,IHWHGPUDYPIVLL,,,,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1480,3284,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,IHWHGPUDYPIVLL-BFMJJVGDSA-N,"InChI=1S/C20H28O13/c21-6-9-11(22)13(24)15(26)19(31-9)30-7-10-12(23)14(25)16(27)20(32-10)33-17(18(28)29)8-4-2-1-3-5-8/h1-5,9-17,19-27H,6-7H2,(H,28,29)/t9-,10-,11-,12-,13+,14+,15-,16-,17-,19-,20+/m1/s1",O=C(O)[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H28O13,pos_1_1proton1ammonium,476.152990956,IHWHGPUDYPIVLL,,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1481,3283,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,PNRKIXSZTUCIJN-UJPOAAIJSA-N,"InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-2-1-3-8(15)4-7/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O7,pos_1_1proton1ethylamine,286.105252916,PNRKIXSZTUCIJN,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,1,8.5 1482,3282,-1,,,,0.0,MS1_match,MKXVLYPJBLBGIO-RRGRKSGHSA-N,"InChI=1S/C16H24O8/c1-8(2)5-10-4-3-9(15(21)23-10)7-22-16-14(20)13(19)12(18)11(6-17)24-16/h3,5,10-14,16-20H,4,6-7H2,1-2H3/t10-,11+,12+,13-,14+,16+/m0/s1",CC(C)=C[C@@H]1CC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1,C16H24O8,pos_1_1sodium,344.147117728,MKXVLYPJBLBGIO,Terpenoids,Monoterpenoids,Irregular monoterpenoids,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 1483,3282,-1,,,,0.0,MS1_match,MKXVLYPJBLBGIO-RRGRKSGHSA-N,"InChI=1S/C16H24O8/c1-8(2)5-10-4-3-9(15(21)23-10)7-22-16-14(20)13(19)12(18)11(6-17)24-16/h3,5,10-14,16-20H,4,6-7H2,1-2H3/t10-,11+,12+,13-,14+,16+/m0/s1",CC(C)=C[C@@H]1CC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1,C16H24O8,pos_1_1sodium,344.147117728,MKXVLYPJBLBGIO,Terpenoids,Monoterpenoids,Irregular monoterpenoids,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 1484,3282,-1,,,,0.0,MS1_match,AYOGZIXAHOAPOK-QKAQTOFFSA-N,"InChI=1S/C16H24O8/c1-8(2)5-10-6-9(15(21)23-10)3-4-22-16-14(20)13(19)12(18)11(7-17)24-16/h3,5,10-14,16-20H,4,6-7H2,1-2H3/b9-3-/t10-,11+,12+,13-,14+,16+/m0/s1",CC(C)=C[C@H]1C/C(=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1,C16H24O8,pos_1_1sodium,344.147117728,AYOGZIXAHOAPOK,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Sibiraea angustata,1004734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Sibiraea'],['Sibiraea angustata'],6,0,6.0 1485,3280,266,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,SWRFKGRMQVLMKA-JIZJWZDPSA-N,"InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2/t19-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C41H28O26,pos_1_1proton1ammonium,936.0868810160002,SWRFKGRMQVLMKA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Potentilla centigrana,538520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla centigrana'],8,3,9.5 1486,3280,266,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,SWRFKGRMQVLMKA-MCUYVTBYSA-N,"InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2/t19-,33-,34+,35-,41-/m1/s1",O=C(O[C@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C41H28O26,pos_1_1proton1ammonium,936.0868810160003,SWRFKGRMQVLMKA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Potentilla kleiniana,961782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla kleiniana'],8,3,9.5 1487,3280,266,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,SWRFKGRMQVLMKA-JIZJWZDPSA-N,"InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2/t19-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C41H28O26,pos_1_1proton1ammonium,936.0868810160002,SWRFKGRMQVLMKA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Potentilla centigrana,538520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla centigrana'],8,3,9.5 1488,3280,266,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,SWRFKGRMQVLMKA-MCUYVTBYSA-N,"InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2/t19-,33-,34+,35-,41-/m1/s1",O=C(O[C@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C41H28O26,pos_1_1proton1ammonium,936.0868810160003,SWRFKGRMQVLMKA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Potentilla kleiniana,961782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla kleiniana'],8,3,9.5 1489,3279,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton1isopropanol,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 1490,3278,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C=CCc1ccc(OC)c(OC)c1,C11H14O2,pos_1_1proton1isopropanol,178.099379688,ZYEMGPIYFIJGTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 1491,3275,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.30281967,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Magallana gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,3.7112786769866943 1492,3275,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.30281967,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula sandai,920655.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula sandai'],1,3,3.7112786769866943 1493,3275,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.30281967,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula japonica,920654.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula japonica'],1,3,3.7112786769866943 1494,3275,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.30281967,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Crassostrea gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,3.7112786769866943 1495,3274,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton2acetonitrile,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 1496,3274,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1proton2acetonitrile,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 1497,3274,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton2acetonitrile,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 1498,3274,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton2acetonitrile,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 1499,3274,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1proton2acetonitrile,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 1500,3274,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton2acetonitrile,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 1501,3273,-1,,,,0.0,MS1_match,PXUQTDZNOHRWLI-OXUVVOBNSA-O,"InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C23H25O12+,pos_1_1sodium,493.1340526600898,PXUQTDZNOHRWLI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 1502,3273,-1,,,,0.0,MS1_match,IHWHGPUDYPIVLL-BFMJJVGDSA-N,"InChI=1S/C20H28O13/c21-6-9-11(22)13(24)15(26)19(31-9)30-7-10-12(23)14(25)16(27)20(32-10)33-17(18(28)29)8-4-2-1-3-5-8/h1-5,9-17,19-27H,6-7H2,(H,28,29)/t9-,10-,11-,12-,13+,14+,15-,16-,17-,19-,20+/m1/s1",O=C(O)[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H28O13,pos_1_1potassium,476.152990956,IHWHGPUDYPIVLL,,,,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1503,3273,-1,,,,0.0,MS1_match,IHWHGPUDYPIVLL-BFMJJVGDSA-N,"InChI=1S/C20H28O13/c21-6-9-11(22)13(24)15(26)19(31-9)30-7-10-12(23)14(25)16(27)20(32-10)33-17(18(28)29)8-4-2-1-3-5-8/h1-5,9-17,19-27H,6-7H2,(H,28,29)/t9-,10-,11-,12-,13+,14+,15-,16-,17-,19-,20+/m1/s1",O=C(O)[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H28O13,pos_1_1potassium,476.152990956,IHWHGPUDYPIVLL,,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1504,3272,234,Terpenoids,Sesquiterpenoids,Apocarotenoids (β-),0.27778924,ISDB,TUQIUNWHHVJPHY-CJNGLKHVSA-N,"InChI=1S/C16H31NO3/c1-5-6-7-8-9-10-11-12-16(20-15(4)19)13(2)17-14(3)18/h13,16H,5-12H2,1-4H3,(H,17,18)/t13-,16+/m1/s1",CCCCCCCCC[C@H](OC(C)=O)[C@@H](C)NC(C)=O,C16H31NO3,,285.230393852,TUQIUNWHHVJPHY,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Clavelina oblonga,850955.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Clavelinidae'],['Unknown'],['Clavelina'],['Clavelina oblonga'],1,0,2.111156940460205 1505,3271,44,Terpenoids,Monoterpenoids,Phenylethanoids,0.0,MS1_match,NZUIJGRMABSDPS-RNMKKKFZSA-N,"InChI=1S/C15H22O9/c1-5-8-6(10(18)9(5)17)2-3-22-14(8)24-15-13(21)12(20)11(19)7(4-16)23-15/h2-3,6-21H,1,4H2/t6-,7-,8-,9-,10+,11-,12+,13-,14+,15+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@H]2[C@H](O)[C@@H]1O,C15H22O9,pos_1_1proton1ethylamine,346.126382284,NZUIJGRMABSDPS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,2,7.0 1506,3271,44,Terpenoids,Monoterpenoids,Phenylethanoids,0.0,MS1_match,NMGLHCRCWAPJGC-RFGHRSJTSA-N,"InChI=1S/C15H22O9/c1-6-5-22-13(20)7-2-3-21-14(9(6)7)24-15-12(19)11(18)10(17)8(4-16)23-15/h2-3,6-12,14-19H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,14-,15-/m0/s1",C[C@H]1COC(=O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O9,pos_1_1proton1ethylamine,346.126382284,NMGLHCRCWAPJGC,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,2,7.0 1507,3270,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.91860545,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,13.174421787261963 1508,3270,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.91860545,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,13.174421787261963 1509,3269,-1,,,,0.0,MS1_match,BAEXUXXJQFAXLI-LSLMRWIDSA-N,"InChI=1S/C15H26O3/c1-6-14(4,17)9-7-10-15(5)11-8-12(18-15)13(2,3)16/h6-7,10,12,16-17H,1,8-9,11H2,2-5H3/b10-7-/t12-,14+,15-/m0/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O)O1,C15H26O3,pos_1_1proton1methanol,254.188194692,BAEXUXXJQFAXLI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 1510,3268,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,pos_2MCH3CNNa,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 1511,3268,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,pos_2MCH3CNNa,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 1512,3267,-1,,,,0.0,MS1_match,ZOJSSXJDOHFOTI-HOCLYGCPSA-N,"InChI=1S/C16H26O3/c1-12(2)6-5-11-16(3,18)14-9-7-13(8-10-14)15(17)19-4/h6-7,14,18H,5,8-11H2,1-4H3/t14-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)CCC=C(C)C)CC1,C16H26O3,pos_2MNa,266.188194692,ZOJSSXJDOHFOTI,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1513,3266,527,Shikimates and Phenylpropanoids,Coumarins,Flavonols,0.0,MS1_match,UZDCOTMGNTTWIV-KPJJWNKPSA-N,"InChI=1S/C19H14O12/c20-3-8-12(23)14(25)19(29-8)28-7-2-5-10-9-4(17(26)31-16(10)13(7)24)1-6(21)11(22)15(9)30-18(5)27/h1-2,8,12,14,19-25H,3H2/t8-,12-,14+,19+/m0/s1",O=c1oc2c(O)c(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)cc3c(=O)oc4c(O)c(O)cc1c4c23,C19H14O12,pos_1_1proton1methanol,434.0485258879998,UZDCOTMGNTTWIV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,2,7.0 1514,3266,527,Shikimates and Phenylpropanoids,Coumarins,Flavonols,0.0,MS1_match,KNURQRIPZJJYQO-MLMLWEKWSA-N,"InChI=1S/C19H14O12/c20-6-1-4-9-10-5(18(27)30-15(9)12(6)23)2-8(13(24)16(10)31-17(4)26)29-19-14(25)11(22)7(21)3-28-19/h1-2,7,11,14,19-25H,3H2/t7-,11+,14-,19-/m1/s1",O=c1oc2c(O)c(O[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc3c(=O)oc4c(O)c(O)cc1c4c23,C19H14O12,pos_1_1proton1methanol,434.0485258879998,KNURQRIPZJJYQO,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,2,7.0 1515,3266,527,Shikimates and Phenylpropanoids,Coumarins,Flavonols,0.0,MS1_match,KNURQRIPZJJYQO-FYZLSVPNSA-N,"InChI=1S/C19H14O12/c20-6-1-4-9-10-5(18(27)30-15(9)12(6)23)2-8(13(24)16(10)31-17(4)26)29-19-14(25)11(22)7(21)3-28-19/h1-2,7,11,14,19-25H,3H2/t7-,11-,14+,19-/m0/s1",O=c1oc2c(O)c(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)cc3c(=O)oc4c(O)c(O)cc1c4c23,C19H14O12,pos_1_1proton1methanol,434.048525888,KNURQRIPZJJYQO,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus idaeus,156929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus idaeus'],6,2,7.0 1516,3266,527,Shikimates and Phenylpropanoids,Coumarins,Flavonols,0.0,MS1_match,KNURQRIPZJJYQO-MLMLWEKWSA-N,"InChI=1S/C19H14O12/c20-6-1-4-9-10-5(18(27)30-15(9)12(6)23)2-8(13(24)16(10)31-17(4)26)29-19-14(25)11(22)7(21)3-28-19/h1-2,7,11,14,19-25H,3H2/t7-,11+,14-,19-/m1/s1",O=c1oc2c(O)c(O[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc3c(=O)oc4c(O)c(O)cc1c4c23,C19H14O12,pos_1_1proton1methanol,434.0485258879998,KNURQRIPZJJYQO,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,2,7.0 1517,3266,527,Shikimates and Phenylpropanoids,Coumarins,Flavonols,0.0,MS1_match,KNURQRIPZJJYQO-FYZLSVPNSA-N,"InChI=1S/C19H14O12/c20-6-1-4-9-10-5(18(27)30-15(9)12(6)23)2-8(13(24)16(10)31-17(4)26)29-19-14(25)11(22)7(21)3-28-19/h1-2,7,11,14,19-25H,3H2/t7-,11-,14+,19-/m0/s1",O=c1oc2c(O)c(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)cc3c(=O)oc4c(O)c(O)cc1c4c23,C19H14O12,pos_1_1proton1methanol,434.048525888,KNURQRIPZJJYQO,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus idaeus,156929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus idaeus'],6,2,7.0 1518,3266,527,Shikimates and Phenylpropanoids,Coumarins,Flavonols,0.0,MS1_match,KNURQRIPZJJYQO-MLMLWEKWSA-N,"InChI=1S/C19H14O12/c20-6-1-4-9-10-5(18(27)30-15(9)12(6)23)2-8(13(24)16(10)31-17(4)26)29-19-14(25)11(22)7(21)3-28-19/h1-2,7,11,14,19-25H,3H2/t7-,11+,14-,19-/m1/s1",O=c1oc2c(O)c(O[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc3c(=O)oc4c(O)c(O)cc1c4c23,C19H14O12,pos_1_1proton1methanol,434.0485258879998,KNURQRIPZJJYQO,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,2,7.0 1519,3266,527,Shikimates and Phenylpropanoids,Coumarins,Flavonols,0.0,MS1_match,KNURQRIPZJJYQO-FYZLSVPNSA-N,"InChI=1S/C19H14O12/c20-6-1-4-9-10-5(18(27)30-15(9)12(6)23)2-8(13(24)16(10)31-17(4)26)29-19-14(25)11(22)7(21)3-28-19/h1-2,7,11,14,19-25H,3H2/t7-,11-,14+,19-/m0/s1",O=c1oc2c(O)c(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)cc3c(=O)oc4c(O)c(O)cc1c4c23,C19H14O12,pos_1_1proton1methanol,434.048525888,KNURQRIPZJJYQO,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus idaeus,156929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus idaeus'],6,2,7.0 1520,3265,527,Shikimates and Phenylpropanoids,Coumarins,Flavonols,0.0,MS1_match,FEIQZMJQJPRWFW-UHFFFAOYSA-N,"InChI=1S/C34H26O13/c1-41-17-11-20(36)27-25(13-17)46-32(31(40)29(27)38)16-6-8-23(24(10-16)43-3)45-22-7-5-15(9-19(22)35)33-34(44-4)30(39)28-21(37)12-18(42-2)14-26(28)47-33/h5-14,35-37,40H,1-4H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(Oc4ccc(-c5oc6cc(OC)cc(O)c6c(=O)c5OC)cc4O)c(OC)c3)oc2c1,C34H26O13,pos_2MMg,642.137340892,FEIQZMJQJPRWFW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Spiraea brahuica,5527789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea brahuica'],6,3,7.5 1521,3264,193,Shikimates and Phenylpropanoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,OYRNAQRKPVOICQ-JKNURMDQSA-N,"InChI=1S/C18H30O10/c1-4-25-11(12-16(28-17(12)24)9(20)5-8(2)3)7-26-18-15(23)14(22)13(21)10(6-19)27-18/h5,9-16,18-23H,4,6-7H2,1-3H3/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",CCO[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C,C18H30O10,pos_1_1proton1acetonitrile,406.1838971599999,OYRNAQRKPVOICQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,3,7.5 1522,3264,193,Shikimates and Phenylpropanoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,OYRNAQRKPVOICQ-JKNURMDQSA-N,"InChI=1S/C18H30O10/c1-4-25-11(12-16(28-17(12)24)9(20)5-8(2)3)7-26-18-15(23)14(22)13(21)10(6-19)27-18/h5,9-16,18-23H,4,6-7H2,1-3H3/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",CCO[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C,C18H30O10,pos_1_1proton1acetonitrile,406.1838971599999,OYRNAQRKPVOICQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,3,7.5 1523,3263,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,WPYMKLBDIGXBTP-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",O=C(O)c1ccccc1,C7H6O2,pos_1_1proton1methanol,122.036779432,WPYMKLBDIGXBTP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1524,3260,-1,,,,0.0,MS1_match,UHEPJGULSIKKTP-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3",CC(=O)CCC=C(C)C,C8H14O,pos_1_1proton,126.104465068,UHEPJGULSIKKTP,,,,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1525,3260,-1,,,,0.0,MS1_match,LVBXEMGDVWVTGY-VOTSOKGWSA-N,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+",CCCCC/C=C/C=O,C8H14O,pos_1_1proton,126.104465068,LVBXEMGDVWVTGY,Fatty acids,Fatty acyls,Fatty aldehydes,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 1526,3259,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PMWOCSJXZDDAPR-JFQSVRQGSA-N,"InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3/t8-,17+,18-,19-,21-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,PMWOCSJXZDDAPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,3,9.5 1527,3259,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PMWOCSJXZDDAPR-JFQSVRQGSA-N,"InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3/t8-,17+,18-,19-,21-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,PMWOCSJXZDDAPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,3,9.5 1528,3258,325,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1methanol,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,1,6.5 1529,3258,325,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1methanol,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,1,6.5 1530,3258,325,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1methanol,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,1,6.5 1531,3258,325,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1methanol,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,1,6.5 1532,3258,325,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1methanol,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,1,6.5 1533,3258,325,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1methanol,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,1,6.5 1534,3258,325,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1methanol,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,1,6.5 1535,3258,325,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1methanol,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,1,6.5 1536,3258,325,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1methanol,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,1,6.5 1537,3257,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.31082645,ISDB,CDOSHBSSFJOMGT-UHFFFAOYSA-N,"InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3",C=CC(C)(O)CCC=C(C)C,C10H18O,,154.135765196,CDOSHBSSFJOMGT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,10.743305802345276 1538,3256,159,Shikimates and Phenylpropanoids,Nucleosides,Isocoumarins,0.0,MS1_match,JFJWMFPFMLRLMI-UHFFFAOYSA-N,"InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)",O=C1CC(C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21,C13H8O8,pos_1_1proton1isopropanol,292.021917216,JFJWMFPFMLRLMI,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Potentilla wallichiana,759832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla atrosanguinea'],8,3,9.5 1539,3255,638,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,0.0,MS1_match,UTPBCUCEDIRSFI-KHLXKNNCSA-N,"InChI=1S/C27H38O12/c1-34-19-7-14(8-20(35-2)24(19)31)5-16(11-28)17(12-38-27-26(33)23(30)18(29)13-39-27)6-15-9-21(36-3)25(32)22(10-15)37-4/h7-10,16-18,23,26-33H,5-6,11-13H2,1-4H3/t16-,17-,18-,23+,26-,27-/m1/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C27H38O12,pos_1_1sodium,554.236326656,UTPBCUCEDIRSFI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 1540,3255,638,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,0.0,MS1_match,UTPBCUCEDIRSFI-KHLXKNNCSA-N,"InChI=1S/C27H38O12/c1-34-19-7-14(8-20(35-2)24(19)31)5-16(11-28)17(12-38-27-26(33)23(30)18(29)13-39-27)6-15-9-21(36-3)25(32)22(10-15)37-4/h7-10,16-18,23,26-33H,5-6,11-13H2,1-4H3/t16-,17-,18-,23+,26-,27-/m1/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C27H38O12,pos_1_1sodium,554.236326656,UTPBCUCEDIRSFI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 1541,3254,-1,,,,0.0,MS1_match,CDPOJDDWXIJFPO-JZQNBJMNSA-N,"InChI=1S/C30H48O6/c1-25(16-31)10-12-30(24(35)36)13-11-28(4)18(19(30)14-25)6-7-22-26(2)15-20(33)23(34)27(3,17-32)21(26)8-9-29(22,28)5/h6,19-23,31-34H,7-17H2,1-5H3,(H,35,36)/t19-,20+,21+,22+,23-,25+,26-,27-,28+,29+,30-/m0/s1",C[C@@]1(CO)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O6,pos_1_1sodium,504.345089256,CDPOJDDWXIJFPO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Photinia serrulata,7056912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia bodinieri'],7,0,7.0 1542,3254,-1,,,,0.0,MS1_match,CDPOJDDWXIJFPO-JZQNBJMNSA-N,"InChI=1S/C30H48O6/c1-25(16-31)10-12-30(24(35)36)13-11-28(4)18(19(30)14-25)6-7-22-26(2)15-20(33)23(34)27(3,17-32)21(26)8-9-29(22,28)5/h6,19-23,31-34H,7-17H2,1-5H3,(H,35,36)/t19-,20+,21+,22+,23-,25+,26-,27-,28+,29+,30-/m0/s1",C[C@@]1(CO)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O6,pos_1_1sodium,504.345089256,CDPOJDDWXIJFPO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Photinia serratifolia,653082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia serratifolia'],7,0,7.0 1543,3254,-1,,,,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1sodium,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 1544,3254,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1sodium,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,0,7.0 1545,3254,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1sodium,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,0,7.0 1546,3254,-1,,,,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1sodium,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 1547,3253,-1,,,,0.0,MS1_match,RSDDHGSKLOSQFK-UHFFFAOYSA-N,"InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3",CC(C)=CCCC(C)=CCOc1ccc2ccc(=O)oc2c1,C19H22O3,pos_1_1sodium,298.156894564,RSDDHGSKLOSQFK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 1548,3251,44,Terpenoids,Monoterpenoids,Phenylethanoids,0.0,MS1_match,PQQITYGQJLPDFC-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O8,pos_1_1proton1ethylamine,316.1158176,PQQITYGQJLPDFC,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 1549,3250,567,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 1550,3250,567,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,3,8.5 1551,3250,567,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,3,8.5 1552,3250,567,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 1553,3249,-1,,,,0.0,MS1_match,CTCKPFXFWVNGLG-RTLCHFMVSA-N,"InChI=1S/C13H24O4/c1-9(14)5-6-13(17)11(2,3)7-10(15)8-12(13,4)16/h5-6,9-10,14-17H,7-8H2,1-4H3/b6-5+/t9-,10+,12-,13-/m0/s1",C[C@H](O)/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@]1(C)O,C13H24O4,pos_1_1proton1ethylamine,244.167459248,CTCKPFXFWVNGLG,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 1554,3247,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.24304596,ISDB,HSBSUGYTMJWPAX-UHFFFAOYSA-N,"InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,7,8)(H,9,10)",O=C(O)C=CCCC(=O)O,C6H8O4,,144.042258736,HSBSUGYTMJWPAX,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Lupinus angustifolius,1030433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus angustifolius'],4,3,6.47218382358551 1555,3244,-1,,,,0.0,MS1_match,BAEXUXXJQFAXLI-LSLMRWIDSA-N,"InChI=1S/C15H26O3/c1-6-14(4,17)9-7-10-15(5)11-8-12(18-15)13(2,3)16/h6-7,10,12,16-17H,1,8-9,11H2,2-5H3/b10-7-/t12-,14+,15-/m0/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O)O1,C15H26O3,pos_1_1proton1methanol,254.188194692,BAEXUXXJQFAXLI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 1556,3243,16,Fatty acids,Octadecanoids,Other Octadecanoids,0.23794717,ISDB,GTJOQTFPQLBALB-HIAHZXRNSA-N,"InChI=1S/C16H30O5/c1-2-3-4-5-7-10-13(17)16(21)14(18)11-8-6-9-12-15(19)20/h7,10,13-14,16-18,21H,2-6,8-9,11-12H2,1H3,(H,19,20)/b10-7-/t13-,14+,16-/m0/s1",CCCCC/C=C\[C@H](O)[C@H](O)[C@H](O)CCCCCC(=O)O,C16H30O5,,302.20932406,GTJOQTFPQLBALB,Fatty acids,Octadecanoids,Other Octadecanoids,Boehmeria nivea,594991.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Boehmeria'],['Boehmeria nivea'],5,3,7.451788663864136 1557,3239,242,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Flavanones,0.0,MS1_match,KEEWIHDTSNESJZ-ZJHVPRRPSA-N,"InChI=1S/C22H24O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,15,17,19-24,26-28H,8-9H2,1H3/t15-,17+,19+,20-,21+,22+/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1,C22H24O10,pos_1_1proton1ethylamine,448.1369469679999,KEEWIHDTSNESJZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 1558,3239,242,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Flavanones,0.0,MS1_match,YKLXLXHFKNDXOH-UHFFFAOYSA-N,"InChI=1S/C22H24O10/c1-29-15-6-12(30-22-21(28)20(27)19(26)17(9-23)32-22)7-16-18(15)13(25)8-14(31-16)10-2-4-11(24)5-3-10/h2-7,14,17,19-24,26-28H,8-9H2,1H3",COc1cc(OC2OC(CO)C(O)C(O)C2O)cc2c1C(=O)CC(c1ccc(O)cc1)O2,C22H24O10,pos_1_1proton1ethylamine,448.136946968,YKLXLXHFKNDXOH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,3,9.5 1559,3239,242,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Flavanones,0.0,MS1_match,BZGHUZGALXIEBL-UHFFFAOYSA-N,"InChI=1S/C22H24O10/c1-29-20-14(31-22-19(28)18(27)17(26)15(9-23)32-22)8-12(25)16-11(24)7-13(30-21(16)20)10-5-3-2-4-6-10/h2-6,8,13,15,17-19,22-23,25-28H,7,9H2,1H3",COc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c1OC(c1ccccc1)CC2=O,C22H24O10,pos_1_1proton1ethylamine,448.136946968,BZGHUZGALXIEBL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 1560,3239,242,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Flavanones,0.0,MS1_match,BZGHUZGALXIEBL-NTTVFSEDSA-N,"InChI=1S/C22H24O10/c1-29-20-14(31-22-19(28)18(27)17(26)15(9-23)32-22)8-12(25)16-11(24)7-13(30-21(16)20)10-5-3-2-4-6-10/h2-6,8,13,15,17-19,22-23,25-28H,7,9H2,1H3/t13-,15-,17-,18+,19-,22-/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@@H](c1ccccc1)CC2=O,C22H24O10,pos_1_1proton1ethylamine,448.136946968,BZGHUZGALXIEBL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 1561,3239,242,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Flavanones,0.0,MS1_match,NEPMMBQHELYZIW-YMTXFHFDSA-N,"InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C22H24O10,pos_1_1proton1ethylamine,448.1369469679999,NEPMMBQHELYZIW,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,3,9.5 1562,3239,242,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Flavanones,0.0,MS1_match,NEPMMBQHELYZIW-UHFFFAOYSA-N,"InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3",COc1cc2c(c(OC3OC(CO)C(O)C(O)C3O)c1)C(=O)CC(c1ccc(O)cc1)O2,C22H24O10,pos_1_1proton1ethylamine,448.1369469679999,NEPMMBQHELYZIW,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 1563,3239,242,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Flavanones,0.0,MS1_match,NEPMMBQHELYZIW-UHFFFAOYSA-N,"InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3",COc1cc2c(c(OC3OC(CO)C(O)C(O)C3O)c1)C(=O)CC(c1ccc(O)cc1)O2,C22H24O10,pos_1_1proton1ethylamine,448.1369469679999,NEPMMBQHELYZIW,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,3,9.5 1564,3239,242,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Flavanones,0.0,MS1_match,NEPMMBQHELYZIW-UHFFFAOYSA-N,"InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3",COc1cc2c(c(OC3OC(CO)C(O)C(O)C3O)c1)C(=O)CC(c1ccc(O)cc1)O2,C22H24O10,pos_1_1proton1ethylamine,448.1369469679999,NEPMMBQHELYZIW,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 1565,3239,242,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Flavanones,0.0,MS1_match,KEEWIHDTSNESJZ-ZJHVPRRPSA-N,"InChI=1S/C22H24O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,15,17,19-24,26-28H,8-9H2,1H3/t15-,17+,19+,20-,21+,22+/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1,C22H24O10,pos_1_1proton1ethylamine,448.1369469679999,KEEWIHDTSNESJZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,3,9.5 1566,3239,242,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Flavanones,0.0,MS1_match,NEPMMBQHELYZIW-UHFFFAOYSA-N,"InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3",COc1cc2c(c(OC3OC(CO)C(O)C(O)C3O)c1)C(=O)CC(c1ccc(O)cc1)O2,C22H24O10,pos_1_1proton1ethylamine,448.1369469679999,NEPMMBQHELYZIW,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus,731578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Unknown'],8,3,9.5 1567,3239,242,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Flavanones,0.0,MS1_match,NEPMMBQHELYZIW-YMTXFHFDSA-N,"InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C22H24O10,pos_1_1proton1ethylamine,448.1369469679999,NEPMMBQHELYZIW,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 1568,3239,242,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Flavanones,0.0,MS1_match,NEPMMBQHELYZIW-YMTXFHFDSA-N,"InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C22H24O10,pos_1_1proton1ethylamine,448.1369469679999,NEPMMBQHELYZIW,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 1569,3239,242,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Flavanones,0.0,MS1_match,KEEWIHDTSNESJZ-ZJHVPRRPSA-N,"InChI=1S/C22H24O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,15,17,19-24,26-28H,8-9H2,1H3/t15-,17+,19+,20-,21+,22+/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1,C22H24O10,pos_1_1proton1ethylamine,448.1369469679999,KEEWIHDTSNESJZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,3,9.5 1570,3239,242,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Flavanones,0.0,MS1_match,KEEWIHDTSNESJZ-UHFFFAOYSA-N,"InChI=1S/C22H24O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,15,17,19-24,26-28H,8-9H2,1H3",COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4O)cc3O2)cc1,C22H24O10,pos_1_1proton1ethylamine,448.136946968,KEEWIHDTSNESJZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,3,9.5 1571,3239,242,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Flavanones,0.0,MS1_match,KEEWIHDTSNESJZ-ZJHVPRRPSA-N,"InChI=1S/C22H24O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,15,17,19-24,26-28H,8-9H2,1H3/t15-,17+,19+,20-,21+,22+/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1,C22H24O10,pos_1_1proton1ethylamine,448.1369469679999,KEEWIHDTSNESJZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,3,9.5 1572,3239,242,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Flavanones,0.0,MS1_match,KEEWIHDTSNESJZ-ZJHVPRRPSA-N,"InChI=1S/C22H24O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,15,17,19-24,26-28H,8-9H2,1H3/t15-,17+,19+,20-,21+,22+/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1,C22H24O10,pos_1_1proton1ethylamine,448.1369469679999,KEEWIHDTSNESJZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,3,9.5 1573,3239,242,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Flavanones,0.0,MS1_match,NEPMMBQHELYZIW-YMTXFHFDSA-N,"InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C22H24O10,pos_1_1proton1ethylamine,448.1369469679999,NEPMMBQHELYZIW,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,3,9.5 1574,3239,242,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Flavanones,0.0,MS1_match,KEEWIHDTSNESJZ-ZJHVPRRPSA-N,"InChI=1S/C22H24O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,15,17,19-24,26-28H,8-9H2,1H3/t15-,17+,19+,20-,21+,22+/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1,C22H24O10,pos_1_1proton1ethylamine,448.1369469679999,KEEWIHDTSNESJZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 1575,3239,242,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Flavanones,0.0,MS1_match,KEEWIHDTSNESJZ-UHFFFAOYSA-N,"InChI=1S/C22H24O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,15,17,19-24,26-28H,8-9H2,1H3",COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4O)cc3O2)cc1,C22H24O10,pos_1_1proton1ethylamine,448.136946968,KEEWIHDTSNESJZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,3,9.5 1576,3237,369,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,AOGQPLXWSUTHQB-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3",CCCCCCOC(C)=O,C8H16O2,pos_2MHCH3CN,144.115029752,AOGQPLXWSUTHQB,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1577,3234,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.36941084,ISDB,TXIKDCCKEBXQGU-WYSYKVOOSA-N,"InChI=1S/C23H26O9/c24-13-18-22(32-19(27)10-5-14-1-6-16(25)7-2-14)20(28)21(29)23(31-18)30-12-11-15-3-8-17(26)9-4-15/h1-10,18,20-26,28-29H,11-13H2/b10-5+/t18-,20-,21-,22-,23-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)[C@@H](O)[C@H](OCCc2ccc(O)cc2)O[C@@H]1CO,C23H26O9,,446.157682412,TXIKDCCKEBXQGU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Osmanthus fragrans,701792.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Osmanthus'],['Osmanthus fragrans'],4,3,6.977643370628357 1578,3233,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 1579,3233,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 1580,3233,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,0,6.0 1581,3233,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,0,6.0 1582,3233,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 1583,3233,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 1584,3233,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,0,6.0 1585,3233,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 1586,3233,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 1587,3233,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 1588,3233,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 1589,3233,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,0,6.0 1590,3233,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,0,6.0 1591,3233,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 1592,3233,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 1593,3233,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,0,6.0 1594,3233,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 1595,3233,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 1596,3233,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 1597,3233,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 1598,3233,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 1599,3233,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 1600,3233,-1,,,,0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1proton1acetonitrile,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 1601,3233,-1,,,,0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1proton1acetonitrile,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 1602,3232,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,MROVETGJOLYNJI-KCPJHIHWSA-N,"InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3/t11-,14-,15-/m1/s1",C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C(=O)C[C@H]2O)C1,C15H22O2,pos_1_1proton1methanol,234.161979944,MROVETGJOLYNJI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,2,8.0 1603,3232,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,MROVETGJOLYNJI-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3",C=C(C)C1CCC2(C)C(=C(C)C(=O)CC2O)C1,C15H22O2,pos_1_1proton1methanol,234.161979944,MROVETGJOLYNJI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,2,8.0 1604,3231,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RSKFXMDGCXLBAK-FFZDEPCBSA-N,"InChI=1S/C27H44O4/c1-17(2)13-23(29)31-22-14-19-20(30-18(3)28)15-21-24(4,5)9-8-10-26(21,7)27(19)12-11-25(22,6)16-27/h17,19-22H,8-16H2,1-7H3/t19-,20+,21+,22-,25+,26+,27+/m1/s1",CC(=O)O[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]23CC[C@@](C)(C2)[C@H](OC(=O)CC(C)C)C[C@H]13,C27H44O4,pos_2_2proton2acetonitrile,432.323959888,RSKFXMDGCXLBAK,Terpenoids,Diterpenoids,Villanovane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,1,7.5 1605,3229,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,QSLBWGKNSBMTJL-UHFFFAOYSA-N,"InChI=1S/C22H24O11/c1-30-13-3-2-9(4-11(13)25)14-7-12(26)18-15(31-14)5-10(24)6-16(18)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3",COc1ccc(C2CC(=O)c3c(cc(O)cc3OC3OC(CO)C(O)C(O)C3O)O2)cc1O,C22H24O11,pos_1_1proton1ammonium,464.131861588,QSLBWGKNSBMTJL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,2,9.0 1606,3229,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,QSLBWGKNSBMTJL-UHFFFAOYSA-N,"InChI=1S/C22H24O11/c1-30-13-3-2-9(4-11(13)25)14-7-12(26)18-15(31-14)5-10(24)6-16(18)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3",COc1ccc(C2CC(=O)c3c(cc(O)cc3OC3OC(CO)C(O)C(O)C3O)O2)cc1O,C22H24O11,pos_1_1proton1ammonium,464.131861588,QSLBWGKNSBMTJL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,2,9.0 1607,3229,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,QSLBWGKNSBMTJL-UHFFFAOYSA-N,"InChI=1S/C22H24O11/c1-30-13-3-2-9(4-11(13)25)14-7-12(26)18-15(31-14)5-10(24)6-16(18)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3",COc1ccc(C2CC(=O)c3c(cc(O)cc3OC3OC(CO)C(O)C(O)C3O)O2)cc1O,C22H24O11,pos_1_1proton1ammonium,464.131861588,QSLBWGKNSBMTJL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,2,9.0 1608,3229,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,QSLBWGKNSBMTJL-UHFFFAOYSA-N,"InChI=1S/C22H24O11/c1-30-13-3-2-9(4-11(13)25)14-7-12(26)18-15(31-14)5-10(24)6-16(18)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3",COc1ccc(C2CC(=O)c3c(cc(O)cc3OC3OC(CO)C(O)C(O)C3O)O2)cc1O,C22H24O11,pos_1_1proton1ammonium,464.131861588,QSLBWGKNSBMTJL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,2,9.0 1609,3228,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PSYRONNZYLYIOG-RBBVTJSLSA-N,"InChI=1S/C14H16O8/c15-8-3-1-7(5-9(8)16)2-4-11(18)22-14-13(20)12(19)10(17)6-21-14/h1-5,10,12-17,19-20H,6H2/b4-2+/t10-,12+,13-,14+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C14H16O8,pos_1_1proton1ammonium,312.084517472,PSYRONNZYLYIOG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rubus sanctus,96557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus sanctus'],6,3,7.5 1610,3228,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PSYRONNZYLYIOG-RBBVTJSLSA-N,"InChI=1S/C14H16O8/c15-8-3-1-7(5-9(8)16)2-4-11(18)22-14-13(20)12(19)10(17)6-21-14/h1-5,10,12-17,19-20H,6H2/b4-2+/t10-,12+,13-,14+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C14H16O8,pos_1_1proton1ammonium,312.084517472,PSYRONNZYLYIOG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rubus sanguineus,96557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus sanctus'],6,3,7.5 1611,3227,-1,,,,0.0,MS1_match,YBZFVTUJHRBZMO-UHFFFAOYSA-N,"InChI=1S/C25H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25(27)28-22-15-16-23-18-20-24(26)21-19-23/h15-16,18-21,26H,2-14,17,22H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C25H40O3,pos_1_minus1proton1iron,388.29774514,YBZFVTUJHRBZMO,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 1612,3227,-1,,,,0.0,MS1_match,YBZFVTUJHRBZMO-UHFFFAOYSA-N,"InChI=1S/C25H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25(27)28-22-15-16-23-18-20-24(26)21-19-23/h15-16,18-21,26H,2-14,17,22H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C25H40O3,pos_1_minus1proton1iron,388.29774514,YBZFVTUJHRBZMO,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 1613,3225,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,pos_1_1proton1isopropanol,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,1,8.5 1614,3225,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,pos_1_1proton1isopropanol,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 1615,3225,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,pos_1_1proton1isopropanol,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 1616,3224,197,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ammonium,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 1617,3224,197,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ammonium,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,3,8.5 1618,3224,197,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ammonium,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,3,8.5 1619,3224,197,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ammonium,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 1620,3222,247,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C=CCc1ccc(OC)c(OC)c1,C11H14O2,pos_1_1proton1isopropanol,178.099379688,ZYEMGPIYFIJGTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 1621,3221,247,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.2785878,ISDB,HDLIFVHZADXCSA-BCNIOPEESA-N,"InChI=1S/C14H24O4/c1-4-6-10-18-14(3,5-2)9-7-8-12(11-15)13(16)17/h5,8,15H,2,4,6-7,9-11H2,1,3H3,(H,16,17)/b12-8+/t14-/m0/s1",C=C[C@@](C)(CC/C=C(\CO)C(=O)O)OCCCC,C14H24O4,,256.167459248,HDLIFVHZADXCSA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Senegalia pennata,3918372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Senegalia'],['Senegalia pennata'],4,0,5.114351153373718 1622,3218,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HLUTZZRCDYPATC-FZYQUXMESA-N,"InChI=1S/C23H26O10/c24-15-5-1-13(2-6-15)9-10-31-23-22(30)21(29)20(28)18(33-23)12-32-19(27)8-4-14-3-7-16(25)17(26)11-14/h1-8,11,18,20-26,28-30H,9-10,12H2/b8-4+/t18-,20-,21+,22-,23-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C23H26O10,pos_1_1proton1ammonium,462.152597032,HLUTZZRCDYPATC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 1623,3216,197,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 1624,3216,197,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,3,8.5 1625,3216,197,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,3,8.5 1626,3216,197,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton1ethylamine,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 1627,3214,-1,,,,0.0,MS1_match,AKCWKACKPGSALW-MJLBXUHQSA-N,"InChI=1S/C20H34O4/c1-7-20(6,23)13-9-12-17(11-8-10-16(2)3)15-24-18(21)14-19(4,5)22/h7,10,12,22-23H,1,8-9,11,13-15H2,2-6H3/b17-12-/t20-/m1/s1",C=C[C@@](C)(O)CC/C=C(/CCC=C(C)C)COC(=O)CC(C)(C)O,C20H34O4,pos_1_1proton1ammonium,338.245709568,AKCWKACKPGSALW,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,0,7.0 1628,3213,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.21031506,ISDB,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,11.341260254383087 1629,3212,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UPASGSSMBIZMDX-WNENLGFLSA-N,"InChI=1S/C24H28O10/c1-31-18-12-15(4-8-17(18)26)5-9-20(27)33-13-19-21(28)22(29)23(30)24(34-19)32-11-10-14-2-6-16(25)7-3-14/h2-9,12,19,21-26,28-30H,10-11,13H2,1H3/b9-5+/t19-,21-,22+,23-,24-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C24H28O10,pos_1_1proton1ethylamine,476.168247096,UPASGSSMBIZMDX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 1630,3211,-1,,,,0.0,MS1_match,MKXVLYPJBLBGIO-RRGRKSGHSA-N,"InChI=1S/C16H24O8/c1-8(2)5-10-4-3-9(15(21)23-10)7-22-16-14(20)13(19)12(18)11(6-17)24-16/h3,5,10-14,16-20H,4,6-7H2,1-2H3/t10-,11+,12+,13-,14+,16+/m0/s1",CC(C)=C[C@@H]1CC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1,C16H24O8,pos_1_1proton1ethylamine,344.147117728,MKXVLYPJBLBGIO,Terpenoids,Monoterpenoids,Irregular monoterpenoids,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 1631,3211,-1,,,,0.0,MS1_match,MKXVLYPJBLBGIO-RRGRKSGHSA-N,"InChI=1S/C16H24O8/c1-8(2)5-10-4-3-9(15(21)23-10)7-22-16-14(20)13(19)12(18)11(6-17)24-16/h3,5,10-14,16-20H,4,6-7H2,1-2H3/t10-,11+,12+,13-,14+,16+/m0/s1",CC(C)=C[C@@H]1CC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1,C16H24O8,pos_1_1proton1ethylamine,344.147117728,MKXVLYPJBLBGIO,Terpenoids,Monoterpenoids,Irregular monoterpenoids,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 1632,3211,-1,,,,0.0,MS1_match,AYOGZIXAHOAPOK-QKAQTOFFSA-N,"InChI=1S/C16H24O8/c1-8(2)5-10-6-9(15(21)23-10)3-4-22-16-14(20)13(19)12(18)11(7-17)24-16/h3,5,10-14,16-20H,4,6-7H2,1-2H3/b9-3-/t10-,11+,12+,13-,14+,16+/m0/s1",CC(C)=C[C@H]1C/C(=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1,C16H24O8,pos_1_1proton1ethylamine,344.147117728,AYOGZIXAHOAPOK,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Sibiraea angustata,1004734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Sibiraea'],['Sibiraea angustata'],6,0,6.0 1633,3209,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,OYRNAQRKPVOICQ-JKNURMDQSA-N,"InChI=1S/C18H30O10/c1-4-25-11(12-16(28-17(12)24)9(20)5-8(2)3)7-26-18-15(23)14(22)13(21)10(6-19)27-18/h5,9-16,18-23H,4,6-7H2,1-3H3/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",CCO[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C,C18H30O10,pos_1_1proton1ethylamine,406.1838971599999,OYRNAQRKPVOICQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,1,6.5 1634,3209,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,OYRNAQRKPVOICQ-JKNURMDQSA-N,"InChI=1S/C18H30O10/c1-4-25-11(12-16(28-17(12)24)9(20)5-8(2)3)7-26-18-15(23)14(22)13(21)10(6-19)27-18/h5,9-16,18-23H,4,6-7H2,1-3H3/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",CCO[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C,C18H30O10,pos_1_1proton1ethylamine,406.1838971599999,OYRNAQRKPVOICQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,1,6.5 1635,3208,238,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PCMORTLOPMLEFB-ONEGZZNKSA-N,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+",COc1cc(/C=C/C(=O)O)cc(OC)c1O,C11H12O5,pos_2MNa,224.068473484,PCMORTLOPMLEFB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1636,3206,-1,,,,0.0,MS1_match,KYRNFTRJARVVEU-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c1-4-2-6(8)9-5(4)3-7/h2-3,8H,1H3",Cc1cc(O)oc1C=O,C6H6O3,pos_2MHNH3,126.031694052,KYRNFTRJARVVEU,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 1637,3206,-1,,,,0.0,MS1_match,NOEGNKMFWQHSLB-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2",O=Cc1ccc(CO)o1,C6H6O3,pos_2MHNH3,126.031694052,NOEGNKMFWQHSLB,Polyketides,Cyclic polyketides,Furans,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],6,0,6.0 1638,3205,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ethylamine,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],6,1,6.5 1639,3205,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ethylamine,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,1,6.5 1640,3205,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ethylamine,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,1,6.5 1641,3205,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1ammonium,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,1,6.5 1642,3205,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1ammonium,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,1,6.5 1643,3205,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,JOIDTHZGWZZGMU-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(4-5-10(11)18)3-2-6-23-16-15(21)14(20)13(19)12(8-17)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C16H22O8,pos_1_1proton1ammonium,342.131467664,JOIDTHZGWZZGMU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],6,1,6.5 1644,3204,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,XIDXTKPMMNRXAU-OAHLLOKOSA-N,"InChI=1S/C15H20O2/c1-10(2)12-7-9-15(3)8-6-11(14(16)17)4-5-13(12)15/h6H,1,4-5,7-9H2,2-3H3,(H,16,17)/t15-/m1/s1",C=C(C)C1=C2CCC(C(=O)O)=CC[C@]2(C)CC1,C15H20O2,pos_1_1proton1methanol,232.14632988,XIDXTKPMMNRXAU,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 1645,3202,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton1ethylamine,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,1,8.5 1646,3202,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton1ethylamine,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,1,8.5 1647,3202,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton1ethylamine,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spinulosa,574227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinulosa'],8,1,8.5 1648,3202,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton1ethylamine,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,1,8.5 1649,3202,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton1ethylamine,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,1,8.5 1650,3202,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VFPGPPMQCHGMCT-ITSUVCJSSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton1ethylamine,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,1,8.5 1651,3202,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1proton1ethylamine,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,1,8.5 1652,3202,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1proton1ethylamine,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,1,8.5 1653,3202,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1proton1ethylamine,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,1,8.5 1654,3202,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WYYUKFFHGFCNBT-MBPYKEKKSA-N,"InChI=1S/C21H22O9/c22-15-14(11-28-20(27)13-9-5-2-6-10-13)29-21(17(24)16(15)23)30-18(19(25)26)12-7-3-1-4-8-12/h1-10,14-18,21-24H,11H2,(H,25,26)/t14-,15-,16+,17-,18-,21+/m1/s1",O=C(OC[C@H]1O[C@@H](O[C@@H](C(=O)O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1,C21H22O9,pos_1_1proton1ethylamine,418.1263822839999,WYYUKFFHGFCNBT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,1,8.5 1655,3202,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CNNUKFIXGVQJSF-CQQLTZKSSA-N,"InChI=1S/C21H22O9/c1-27-11-4-2-10(3-5-11)16-8-14(23)18-13(22)6-12(7-17(18)30-16)29-21-20(26)19(25)15(24)9-28-21/h2-7,15-16,19-22,24-26H,8-9H2,1H3/t15-,16-,19+,20-,21+/m1/s1",COc1ccc([C@H]2CC(=O)c3c(O)cc(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1,C21H22O9,pos_1_1proton1ethylamine,418.1263822839999,CNNUKFIXGVQJSF,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,1,8.5 1656,3202,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OVWZFLKQVPSRDZ-UHFFFAOYSA-N,"InChI=1S/C21H22O9/c1-9-18(25)19(26)20(27)21(28-9)30-16-7-12(23)6-15-17(16)13(24)8-14(29-15)10-2-4-11(22)5-3-10/h2-7,9,14,18-23,25-27H,8H2,1H3",CC1OC(Oc2cc(O)cc3c2C(=O)CC(c2ccc(O)cc2)O3)C(O)C(O)C1O,C21H22O9,pos_1_1proton1ethylamine,418.126382284,OVWZFLKQVPSRDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,1,8.5 1657,3200,-1,,,,0.0,MS1_match,TYIKLWYMBUWTIH-DUFZWWRVSA-N,"InChI=1S/C26H42O10/c1-22-6-3-7-23(2,21(32)36-20-19(31)18(30)17(29)14(10-27)35-20)15(22)4-8-24-11-25(33,9-5-16(22)24)26(34,12-24)13-28/h14-20,27-31,33-34H,3-13H2,1-2H3/t14-,15+,16+,17-,18+,19-,20+,22-,23-,24+,25+,26+/m1/s1",C[C@@]12CCC[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]1CC[C@]13C[C@](O)(CO)[C@](O)(CC[C@H]12)C3,C26H42O10,pos_2_1calcium,514.277797544,TYIKLWYMBUWTIH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 1658,3196,-1,,,,0.0,MS1_match,AUPMFUOQLMOLGB-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h17-18,20-23,28H,2-16,19,24H2,1H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H44O3,pos_1_minus1proton1iron,416.329045268,AUPMFUOQLMOLGB,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 1659,3196,-1,,,,0.0,MS1_match,AUPMFUOQLMOLGB-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h17-18,20-23,28H,2-16,19,24H2,1H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H44O3,pos_1_minus1proton1iron,416.329045268,AUPMFUOQLMOLGB,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 1660,3195,103,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VCCRNZQBSJXYJD-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H",O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,VCCRNZQBSJXYJD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1661,3194,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton1methanol,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 1662,3193,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1663,3193,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1664,3193,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_1_1proton,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1665,3191,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RWRZWXXOIGHLQX-RHCFWTIKSA-N,"InChI=1S/C18H30O6/c1-2-14(19)10-12-16(21)17(22)13-11-15(20)8-6-4-3-5-7-9-18(23)24/h10-13,15-17,20-22H,2-9H2,1H3,(H,23,24)/b12-10+,13-11+/t15-,16-,17-/m0/s1",CCC(=O)/C=C/[C@H](O)[C@@H](O)/C=C/[C@@H](O)CCCCCCCC(=O)O,C18H30O6,pos_1_1proton1acetonitrile,342.2042386799999,RWRZWXXOIGHLQX,Fatty acids,Octadecanoids,Other Octadecanoids,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 1666,3191,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RWRZWXXOIGHLQX-RHCFWTIKSA-N,"InChI=1S/C18H30O6/c1-2-14(19)10-12-16(21)17(22)13-11-15(20)8-6-4-3-5-7-9-18(23)24/h10-13,15-17,20-22H,2-9H2,1H3,(H,23,24)/b12-10+,13-11+/t15-,16-,17-/m0/s1",CCC(=O)/C=C/[C@H](O)[C@@H](O)/C=C/[C@@H](O)CCCCCCCC(=O)O,C18H30O6,pos_1_1proton1acetonitrile,342.2042386799999,RWRZWXXOIGHLQX,Fatty acids,Octadecanoids,Other Octadecanoids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 1667,3190,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,MROVETGJOLYNJI-KCPJHIHWSA-N,"InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3/t11-,14-,15-/m1/s1",C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C(=O)C[C@H]2O)C1,C15H22O2,pos_1_1proton1methanol,234.161979944,MROVETGJOLYNJI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,3,8.5 1668,3190,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,MROVETGJOLYNJI-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3",C=C(C)C1CCC2(C)C(=C(C)C(=O)CC2O)C1,C15H22O2,pos_1_1proton1methanol,234.161979944,MROVETGJOLYNJI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,3,8.5 1669,3189,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.5685243,ISDB,GHVNFZFCNZKVNT-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",CCCCCCCCCC(=O)O,C10H20O2,,172.14632988,GHVNFZFCNZKVNT,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,10.274097204208374 1670,3187,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1isopropanol,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 1671,3187,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1isopropanol,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 1672,3187,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1isopropanol,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 1673,3187,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1isopropanol,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 1674,3187,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1isopropanol,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 1675,3187,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1isopropanol,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 1676,3186,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1methanol,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 1677,3186,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1methanol,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 1678,3186,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1methanol,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 1679,3186,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1methanol,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 1680,3186,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1methanol,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 1681,3186,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1methanol,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 1682,3183,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,pos_2_2proton,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],7,1,7.5 1683,3182,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UPASGSSMBIZMDX-WNENLGFLSA-N,"InChI=1S/C24H28O10/c1-31-18-12-15(4-8-17(18)26)5-9-20(27)33-13-19-21(28)22(29)23(30)24(34-19)32-11-10-14-2-6-16(25)7-3-14/h2-9,12,19,21-26,28-30H,10-11,13H2,1H3/b9-5+/t19-,21-,22+,23-,24-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C24H28O10,pos_1_1proton,476.168247096,UPASGSSMBIZMDX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 1684,3181,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,8.5 1685,3181,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 1686,3181,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,1,8.5 1687,3180,325,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,pos_1_1proton1ethylamine,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,2,8.0 1688,3180,325,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,pos_1_1proton1ethylamine,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,2,8.0 1689,3177,217,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,BJEPYKJPYRNKOW-REOHCLBHSA-N,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1",O=C(O)C[C@H](O)C(=O)O,C4H6O5,pos_1_1proton1ethylamine,134.021523292,BJEPYKJPYRNKOW,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 1690,3177,217,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,BJEPYKJPYRNKOW-UHFFFAOYSA-N,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)",O=C(O)CC(O)C(=O)O,C4H6O5,pos_1_1proton1ethylamine,134.021523292,BJEPYKJPYRNKOW,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 1691,3176,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton1ethylamine,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,1,8.5 1692,3176,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton1ethylamine,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,1,8.5 1693,3176,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton1ethylamine,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spinulosa,574227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinulosa'],8,1,8.5 1694,3176,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton1ethylamine,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,1,8.5 1695,3176,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton1ethylamine,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,1,8.5 1696,3176,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VFPGPPMQCHGMCT-ITSUVCJSSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton1ethylamine,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,1,8.5 1697,3176,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1proton1ethylamine,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,1,8.5 1698,3176,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1proton1ethylamine,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,1,8.5 1699,3176,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1proton1ethylamine,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,1,8.5 1700,3176,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WYYUKFFHGFCNBT-MBPYKEKKSA-N,"InChI=1S/C21H22O9/c22-15-14(11-28-20(27)13-9-5-2-6-10-13)29-21(17(24)16(15)23)30-18(19(25)26)12-7-3-1-4-8-12/h1-10,14-18,21-24H,11H2,(H,25,26)/t14-,15-,16+,17-,18-,21+/m1/s1",O=C(OC[C@H]1O[C@@H](O[C@@H](C(=O)O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1,C21H22O9,pos_1_1proton1ethylamine,418.1263822839999,WYYUKFFHGFCNBT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,1,8.5 1701,3176,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CNNUKFIXGVQJSF-CQQLTZKSSA-N,"InChI=1S/C21H22O9/c1-27-11-4-2-10(3-5-11)16-8-14(23)18-13(22)6-12(7-17(18)30-16)29-21-20(26)19(25)15(24)9-28-21/h2-7,15-16,19-22,24-26H,8-9H2,1H3/t15-,16-,19+,20-,21+/m1/s1",COc1ccc([C@H]2CC(=O)c3c(O)cc(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1,C21H22O9,pos_1_1proton1ethylamine,418.1263822839999,CNNUKFIXGVQJSF,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,1,8.5 1702,3176,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OVWZFLKQVPSRDZ-UHFFFAOYSA-N,"InChI=1S/C21H22O9/c1-9-18(25)19(26)20(27)21(28-9)30-16-7-12(23)6-15-17(16)13(24)8-14(29-15)10-2-4-11(22)5-3-10/h2-7,9,14,18-23,25-27H,8H2,1H3",CC1OC(Oc2cc(O)cc3c2C(=O)CC(c2ccc(O)cc2)O3)C(O)C(O)C1O,C21H22O9,pos_1_1proton1ethylamine,418.126382284,OVWZFLKQVPSRDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,1,8.5 1703,3175,236,,,,0.0,MS1_match,AUPMFUOQLMOLGB-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h17-18,20-23,28H,2-16,19,24H2,1H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H44O3,pos_1_minus1proton1iron,416.329045268,AUPMFUOQLMOLGB,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 1704,3175,236,,,,0.0,MS1_match,AUPMFUOQLMOLGB-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h17-18,20-23,28H,2-16,19,24H2,1H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H44O3,pos_1_minus1proton1iron,416.329045268,AUPMFUOQLMOLGB,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 1705,3174,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,MROVETGJOLYNJI-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3",C=C(C)C1CCC2(C)C(=C(C)C(=O)CC2O)C1,C15H22O2,pos_1_1proton1isopropanol,234.161979944,MROVETGJOLYNJI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,2,8.0 1706,3174,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,MROVETGJOLYNJI-KCPJHIHWSA-N,"InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3/t11-,14-,15-/m1/s1",C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C(=O)C[C@H]2O)C1,C15H22O2,pos_1_1proton1isopropanol,234.161979944,MROVETGJOLYNJI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,2,8.0 1707,3172,247,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C=CCc1ccc(OC)c(OC)c1,C11H14O2,pos_1_1proton1isopropanol,178.099379688,ZYEMGPIYFIJGTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 1708,3171,334,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,KKEXONXLVLHEJJ-FQEVSTJZSA-N,"InChI=1S/C23H20O5/c1-27-21-12-18(25)16(11-15-9-5-6-10-17(15)24)23-22(21)19(26)13-20(28-23)14-7-3-2-4-8-14/h2-10,12,20,24-25H,11,13H2,1H3/t20-/m0/s1",COc1cc(O)c(Cc2ccccc2O)c2c1C(=O)C[C@@H](c1ccccc1)O2,C23H20O5,pos_1_1proton1dmso,376.13107374,KKEXONXLVLHEJJ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Micromeles ferruginea,7637458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Micromeles'],['Micromeles ferruginea'],7,3,8.5 1709,3170,-1,,,,0.0,MS1_match,KSNLTHGWURXRJK-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-10(18)8(3)4-11(9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C(C)C)cc1O,C16H24O7,pos_1_1proton1ammonium,328.152203108,KSNLTHGWURXRJK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 1710,3170,-1,,,,0.0,MS1_match,KSNLTHGWURXRJK-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-10(18)8(3)4-11(9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C(C)C)cc1O,C16H24O7,pos_1_1proton1ammonium,328.152203108,KSNLTHGWURXRJK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 1711,3170,-1,,,,0.0,MS1_match,XFPSRAYOBUHKRV-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O7,pos_1_1proton1ammonium,328.152203108,XFPSRAYOBUHKRV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 1712,3170,-1,,,,0.0,MS1_match,XFPSRAYOBUHKRV-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O7,pos_1_1proton1ammonium,328.152203108,XFPSRAYOBUHKRV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 1713,3168,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UPASGSSMBIZMDX-WNENLGFLSA-N,"InChI=1S/C24H28O10/c1-31-18-12-15(4-8-17(18)26)5-9-20(27)33-13-19-21(28)22(29)23(30)24(34-19)32-11-10-14-2-6-16(25)7-3-14/h2-9,12,19,21-26,28-30H,10-11,13H2,1H3/b9-5+/t19-,21-,22+,23-,24-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C24H28O10,pos_1_1proton1ammonium,476.168247096,UPASGSSMBIZMDX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 1714,3167,723,,,,0.0,MS1_match,YBZFVTUJHRBZMO-UHFFFAOYSA-N,"InChI=1S/C25H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25(27)28-22-15-16-23-18-20-24(26)21-19-23/h15-16,18-21,26H,2-14,17,22H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C25H40O3,pos_1_minus1proton1iron,388.29774514,YBZFVTUJHRBZMO,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 1715,3167,723,,,,0.0,MS1_match,YBZFVTUJHRBZMO-UHFFFAOYSA-N,"InChI=1S/C25H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25(27)28-22-15-16-23-18-20-24(26)21-19-23/h15-16,18-21,26H,2-14,17,22H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C25H40O3,pos_1_minus1proton1iron,388.29774514,YBZFVTUJHRBZMO,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 1716,3166,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,XMXGGPVFYCGIQV-LZWOXQAQSA-N,"InChI=1S/C16H26O4/c1-11(2)14(17)9-10-16(3,19)13-7-5-12(6-8-13)15(18)20-4/h5,13-14,17,19H,1,6-10H2,2-4H3/t13-,14+,16-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC=C(C(=O)OC)CC1,C16H26O4,pos_1_1proton1ethylamine,282.183109312,XMXGGPVFYCGIQV,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,2,7.0 1717,3166,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,AAXHRFJECJMASC-ZVZLTRKCSA-N,"InChI=1S/C16H26O4/c1-15(2,18)10-5-11-16(3,19)13-8-6-12(7-9-13)14(17)20-4/h5-6,10,13,18-19H,7-9,11H2,1-4H3/b10-5+/t13-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC1,C16H26O4,pos_1_1proton1ethylamine,282.183109312,AAXHRFJECJMASC,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,2,7.0 1718,3165,519,Fatty acids,Fatty esters,Wax monoesters,0.2907517,ISDB,AOGQPLXWSUTHQB-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3",CCCCCCOC(C)=O,C8H16O2,,144.115029752,AOGQPLXWSUTHQB,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,11.663006782531738 1719,3163,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton1isopropanol,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 1720,3162,44,Terpenoids,Monoterpenoids,Phenylethanoids,0.0,MS1_match,PQQITYGQJLPDFC-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O8,pos_1_1proton1ethylamine,316.1158176,PQQITYGQJLPDFC,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 1721,3160,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton1isopropanol,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 1722,3158,-1,,,,0.384578,ISDB,LUKBXSAWLPMMSZ-UPHRSURJSA-N,"InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1-",Oc1ccc(/C=C\c2cc(O)cc(O)c2)cc1,C14H12O3,,228.078644244,LUKBXSAWLPMMSZ,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,9.538311958312988 1723,3157,342,Alkaloids,Peptide alkaloids,Simple amide alkaloids,0.23845905,ISDB,TUQIUNWHHVJPHY-CJNGLKHVSA-N,"InChI=1S/C16H31NO3/c1-5-6-7-8-9-10-11-12-16(20-15(4)19)13(2)17-14(3)18/h13,16H,5-12H2,1-4H3,(H,17,18)/t13-,16+/m1/s1",CCCCCCCCC[C@H](OC(C)=O)[C@@H](C)NC(C)=O,C16H31NO3,,285.230393852,TUQIUNWHHVJPHY,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Clavelina oblonga,850955.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Clavelinidae'],['Unknown'],['Clavelina'],['Clavelina oblonga'],1,3,3.45383620262146 1724,3156,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.3040207,ISDB,,,,,,,RDYVYZTXHFYVLU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2160828113555908 1725,3154,-1,,,,0.0,MS1_match,UPASGSSMBIZMDX-WNENLGFLSA-N,"InChI=1S/C24H28O10/c1-31-18-12-15(4-8-17(18)26)5-9-20(27)33-13-19-21(28)22(29)23(30)24(34-19)32-11-10-14-2-6-16(25)7-3-14/h2-9,12,19,21-26,28-30H,10-11,13H2,1H3/b9-5+/t19-,21-,22+,23-,24-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C24H28O10,pos_1_1sodium,476.168247096,UPASGSSMBIZMDX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 1726,3152,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,PFNFFQXMRSDOHW-UHFFFAOYSA-N,"InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2",NCCCNCCCCNCCCN,C10H26N4,pos_1_1potassium,202.215746832,PFNFFQXMRSDOHW,Alkaloids,Ornithine alkaloids,Polyamines,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1727,3150,589,Shikimates and Phenylpropanoids,Naphthalenes,Naphthoquinones,0.72414035,ISDB,DKHAQNNRAKURNG-UHFFFAOYSA-N,"InChI=1S/C12H10O2/c1-7-4-3-5-9-6-8(2)11(13)12(14)10(7)9/h3-6H,1-2H3",CC1=Cc2cccc(C)c2C(=O)C1=O,C12H10O2,,186.06807956,DKHAQNNRAKURNG,Polyketides,Naphthalenes,Naphthoquinones,Hibiscus cannabinus,393745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus cannabinus'],4,3,8.39656138420105 1728,3149,412,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DUBCCGAQYVUYEU-UHFFFAOYSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)",O=C(O)C1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H18O13,pos_1_1proton,478.0747406359999,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,3,9.5 1729,3149,412,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DUBCCGAQYVUYEU-UHFFFAOYSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)",O=C(O)C1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H18O13,pos_1_1proton,478.0747406359999,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,3,9.5 1730,3149,412,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DUBCCGAQYVUYEU-UHFFFAOYSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)",O=C(O)C1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H18O13,pos_1_1proton,478.0747406359999,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,3,9.5 1731,3148,-1,,,,0.0,MS1_match,JLNUZDBKJOMHRX-UHFFFAOYSA-N,"InChI=1S/C15H24O4/c1-10(2)11-5-6-13(3)9-12-14(4,18-16)7-8-15(11,13)19-17-12/h7-8,10-12,16H,5-6,9H2,1-4H3",CC(C)C1CCC2(C)CC3OOC12C=CC3(C)OO,C15H24O4,pos_1_1proton1ethylamine,268.167459248,JLNUZDBKJOMHRX,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1732,3147,929,Shikimates and Phenylpropanoids,Naphthalenes,Naphthalenes and derivatives,0.0,MS1_match,CBRMMSPVRYLGMR-UHFFFAOYSA-N,"InChI=1S/C14H14O4/c1-17-12-7-9(8-13(18-2)14(12)16)10-5-3-4-6-11(10)15/h3-8,15-16H,1-2H3",COc1cc(-c2ccccc2O)cc(OC)c1O,C14H14O4,pos_1_1proton,246.089208928,CBRMMSPVRYLGMR,Shikimates and Phenylpropanoids,,,Sorbus aucuparia,217673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aucuparia'],7,1,7.5 1733,3145,639,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,NPFVOOAXDOBMCE-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3",CCC=CCCOC(C)=O,C8H14O2,pos_2MNa,142.099379688,NPFVOOAXDOBMCE,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1734,3144,470,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6500738,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,12.100295305252075 1735,3144,470,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6500738,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,12.100295305252075 1736,3144,470,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6500738,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,12.100295305252075 1737,3143,-1,,,,0.0,MS1_match,AOGQPLXWSUTHQB-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3",CCCCCCOC(C)=O,C8H16O2,pos_2MHCH3CN,144.115029752,AOGQPLXWSUTHQB,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1738,3142,-1,,,,0.0,MS1_match,UZKQTCBAMSWPJD-FARCUNLSSA-N,"InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+",C/C(=C\CNc1nc[nH]c2ncnc1-2)CO,C10H13N5O,pos_1_1proton1acetonitrile,219.112010036,UZKQTCBAMSWPJD,Alkaloids,Pseudoalkaloids,Purine alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 1739,3141,-1,,,,0.0,MS1_match,RXBFKZNLXJKTLQ-UHFFFAOYSA-N,"InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)",CCCCCCCCC(O)C=CCCCCCCC(=O)O,C18H34O3,pos_1_1proton1acetonitrile,298.250794948,RXBFKZNLXJKTLQ,Fatty acids,Octadecanoids,Other Octadecanoids,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 1740,3138,299,Terpenoids,Triterpenoids,,0.0,MS1_match,JMQNCNOQIYLMHF-YKGOFEKOSA-N,"InChI=1S/C29H40O4/c1-16-7-8-18-11-13-27(4)19(23(18)17(16)2)9-10-21-26(3)15-20(30)24(31)29(6,25(32)33)22(26)12-14-28(21,27)5/h7-9,20-22,24,30-31H,10-15H2,1-6H3,(H,32,33)/t20-,21+,22-,24+,26-,27-,28-,29+/m1/s1",Cc1ccc2c(c1C)C1=CC[C@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C29H40O4,pos_2MMg,452.29265976,JMQNCNOQIYLMHF,Terpenoids,Triterpenoids,,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,2,7.0 1741,3137,247,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton1methanol,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 1742,3135,-1,,,,0.0,MS1_match,JAELLLITIZHOGQ-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-5-6(8)9-7(2,3)4/h5H2,1-4H3",CCC(=O)OC(C)(C)C,C7H14O2,pos_2MHCH3CN,130.099379688,JAELLLITIZHOGQ,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1743,3135,-1,,,,0.0,MS1_match,HUAZGNHGCJGYNP-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3",CCCOC(=O)CCC,C7H14O2,pos_2MHCH3CN,130.099379688,HUAZGNHGCJGYNP,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1744,3135,-1,,,,0.0,MS1_match,YYLLIJHXUHJATK-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3",CC(=O)OC1CCCCC1,C8H14O2,pos_2MHNH3,142.099379688,YYLLIJHXUHJATK,,,,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1745,3135,-1,,,,0.0,MS1_match,PGMYKACGEOXYJE-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3",CCCCCOC(C)=O,C7H14O2,pos_2MHCH3CN,130.099379688,PGMYKACGEOXYJE,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1746,3135,-1,,,,0.0,MS1_match,NPFVOOAXDOBMCE-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3",CCC=CCCOC(C)=O,C8H14O2,pos_2MHNH3,142.099379688,NPFVOOAXDOBMCE,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1747,3134,-1,,,,0.0,MS1_match,ZOJSSXJDOHFOTI-HOCLYGCPSA-N,"InChI=1S/C16H26O3/c1-12(2)6-5-11-16(3,18)14-9-7-13(8-10-14)15(17)19-4/h6-7,14,18H,5,8-11H2,1-4H3/t14-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)CCC=C(C)C)CC1,C16H26O3,pos_1_1proton1ethylamine,266.188194692,ZOJSSXJDOHFOTI,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1748,3132,-1,,,,0.0,MS1_match,UKSPRKDZNYSFRL-PXOCLKCNSA-N,"InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2/t12-,15+,17-,18?,19?,20+/m1/s1",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C20H20O11,pos_1_1sodium,436.10056146,UKSPRKDZNYSFRL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Polylepis besseri,664135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis besseri'],6,0,6.0 1749,3132,-1,,,,0.0,MS1_match,PPDQWYOCNSWEMD-RKVCGOANSA-N,"InChI=1S/C20H20O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28H,6H2/t13-,15-,17+,18+,19-,20-/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O,C20H20O11,pos_1_1sodium,436.10056146,PPDQWYOCNSWEMD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,6.0 1750,3132,-1,,,,0.0,MS1_match,UKSPRKDZNYSFRL-PXOCLKCNSA-N,"InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2/t12-,15+,17-,18?,19?,20+/m1/s1",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C20H20O11,pos_1_1sodium,436.10056146,UKSPRKDZNYSFRL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Chamaebatia foliolosa,653073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Chamaebatia'],['Chamaebatia foliolosa'],6,0,6.0 1751,3132,-1,,,,0.0,MS1_match,UKSPRKDZNYSFRL-PXOCLKCNSA-N,"InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2/t12-,15+,17-,18?,19?,20+/m1/s1",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C20H20O11,pos_1_1sodium,436.10056146,UKSPRKDZNYSFRL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Rosa,259066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Unknown'],6,0,6.0 1752,3132,-1,,,,0.0,MS1_match,UKSPRKDZNYSFRL-ARLBNVOWSA-N,"InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2/t12-,15+,17-,18-,19+,20+/m1/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C20H20O11,pos_1_1sodium,436.1005614599998,UKSPRKDZNYSFRL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,6.0 1753,3132,-1,,,,0.0,MS1_match,UKSPRKDZNYSFRL-PXOCLKCNSA-N,"InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2/t12-,15+,17-,18?,19?,20+/m1/s1",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C20H20O11,pos_1_1sodium,436.10056146,UKSPRKDZNYSFRL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 1754,3132,-1,,,,0.0,MS1_match,UKSPRKDZNYSFRL-PXOCLKCNSA-N,"InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2/t12-,15+,17-,18?,19?,20+/m1/s1",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C20H20O11,pos_1_1sodium,436.10056146,UKSPRKDZNYSFRL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 1755,3132,-1,,,,0.0,MS1_match,PPDQWYOCNSWEMD-RKVCGOANSA-N,"InChI=1S/C20H20O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28H,6H2/t13-,15-,17+,18+,19-,20-/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O,C20H20O11,pos_1_1sodium,436.10056146,PPDQWYOCNSWEMD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,6.0 1756,3132,-1,,,,0.0,MS1_match,UKSPRKDZNYSFRL-PXOCLKCNSA-N,"InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2/t12-,15+,17-,18?,19?,20+/m1/s1",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C20H20O11,pos_1_1sodium,436.10056146,UKSPRKDZNYSFRL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Polylepis incana,141740.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis incana'],6,0,6.0 1757,3132,-1,,,,0.0,MS1_match,UKSPRKDZNYSFRL-PXOCLKCNSA-N,"InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2/t12-,15+,17-,18?,19?,20+/m1/s1",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C20H20O11,pos_1_1sodium,436.10056146,UKSPRKDZNYSFRL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Chamaebatia foliolosa,653073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Chamaebatia'],['Chamaebatia foliolosa'],6,0,6.0 1758,3132,-1,,,,0.0,MS1_match,UKSPRKDZNYSFRL-PXOCLKCNSA-N,"InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2/t12-,15+,17-,18?,19?,20+/m1/s1",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C20H20O11,pos_1_1sodium,436.10056146,UKSPRKDZNYSFRL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Rosa,259066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Unknown'],6,0,6.0 1759,3132,-1,,,,0.0,MS1_match,UKSPRKDZNYSFRL-ARLBNVOWSA-N,"InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2/t12-,15+,17-,18-,19+,20+/m1/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C20H20O11,pos_1_1sodium,436.1005614599998,UKSPRKDZNYSFRL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,6.0 1760,3132,-1,,,,0.0,MS1_match,UKSPRKDZNYSFRL-PXOCLKCNSA-N,"InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2/t12-,15+,17-,18?,19?,20+/m1/s1",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C20H20O11,pos_1_1sodium,436.10056146,UKSPRKDZNYSFRL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 1761,3132,-1,,,,0.0,MS1_match,UKSPRKDZNYSFRL-PXOCLKCNSA-N,"InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2/t12-,15+,17-,18?,19?,20+/m1/s1",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C20H20O11,pos_1_1sodium,436.10056146,UKSPRKDZNYSFRL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 1762,3132,-1,,,,0.0,MS1_match,UKSPRKDZNYSFRL-PXOCLKCNSA-N,"InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2/t12-,15+,17-,18?,19?,20+/m1/s1",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C20H20O11,pos_1_1sodium,436.10056146,UKSPRKDZNYSFRL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Polylepis incana,141740.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis incana'],6,0,6.0 1763,3132,-1,,,,0.0,MS1_match,UKSPRKDZNYSFRL-PXOCLKCNSA-N,"InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2/t12-,15+,17-,18?,19?,20+/m1/s1",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C20H20O11,pos_1_1sodium,436.10056146,UKSPRKDZNYSFRL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Polylepis besseri,664135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis besseri'],6,0,6.0 1764,3132,-1,,,,0.0,MS1_match,HNNSDCGSWVUYQI-JAZQRGJZSA-N,"InChI=1S/C20H20O11/c21-6-20(28)7-29-19(18(20)27)31-17-15(26)14-12(25)4-9(22)5-13(14)30-16(17)8-1-2-10(23)11(24)3-8/h1-5,16-19,21-25,27-28H,6-7H2/t16-,17+,18+,19+,20-/m1/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O,C20H20O11,pos_1_1sodium,436.10056146,HNNSDCGSWVUYQI,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Rosa davurica,733758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa davurica'],6,0,6.0 1765,3131,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,MROVETGJOLYNJI-KCPJHIHWSA-N,"InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3/t11-,14-,15-/m1/s1",C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C(=O)C[C@H]2O)C1,C15H22O2,pos_1_1proton1methanol,234.161979944,MROVETGJOLYNJI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,3,8.5 1766,3131,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,MROVETGJOLYNJI-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3",C=C(C)C1CCC2(C)C(=C(C)C(=O)CC2O)C1,C15H22O2,pos_1_1proton1methanol,234.161979944,MROVETGJOLYNJI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,3,8.5 1767,3129,-1,,,,0.0,MS1_match,NHDWUKKPQOYOFD-UHFFFAOYSA-N,"InChI=1S/C15H24O3/c1-9(2)11-5-6-14(4)8-12-10(3)7-13(16)15(11,14)18-17-12/h7,9,11-13,16H,5-6,8H2,1-4H3",CC1=CC(O)C23OOC1CC2(C)CCC3C(C)C,C15H24O3,pos_1_1proton1ethylamine,252.172544628,NHDWUKKPQOYOFD,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1768,3128,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DNQQEEOKVVSMQI-JZTLDUIISA-N,"InChI=1S/C16H19NO9/c18-6-9-11(21)12(22)13(23)14(25-9)26-16(5-10(19)20)7-3-1-2-4-8(7)17-15(16)24/h1-4,9,11-14,18,21-23H,5-6H2,(H,17,24)(H,19,20)/t9-,11-,12+,13-,14+,16-/m1/s1",O=C(O)C[C@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)Nc2ccccc21,C16H19NO9,pos_1_1proton,369.105981188,DNQQEEOKVVSMQI,Alkaloids,Tryptophan alkaloids,Simple oxindole alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 1769,3127,991,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,XMXGGPVFYCGIQV-LZWOXQAQSA-N,"InChI=1S/C16H26O4/c1-11(2)14(17)9-10-16(3,19)13-7-5-12(6-8-13)15(18)20-4/h5,13-14,17,19H,1,6-10H2,2-4H3/t13-,14+,16-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC=C(C(=O)OC)CC1,C16H26O4,pos_1_1proton1ethylamine,282.183109312,XMXGGPVFYCGIQV,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 1770,3127,991,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,AAXHRFJECJMASC-ZVZLTRKCSA-N,"InChI=1S/C16H26O4/c1-15(2,18)10-5-11-16(3,19)13-8-6-12(7-9-13)14(17)20-4/h5-6,10,13,18-19H,7-9,11H2,1-4H3/b10-5+/t13-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC1,C16H26O4,pos_1_1proton1ethylamine,282.183109312,AAXHRFJECJMASC,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 1771,3126,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,LLEMMFPELBNINR-SKYGPZSASA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,LLEMMFPELBNINR,,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 1772,3126,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,LLEMMFPELBNINR-SKYGPZSASA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,LLEMMFPELBNINR,,,,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1773,3126,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,LLEMMFPELBNINR-SKYGPZSASA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,LLEMMFPELBNINR,,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1774,3125,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,DKPFZGUDAPQIHT-UHFFFAOYSA-N,"InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3",CCCCOC(C)=O,C6H12O2,pos_2MHCH3CN,116.083729624,DKPFZGUDAPQIHT,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1775,3125,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,OBNCKNCVKJNDBV-UHFFFAOYSA-N,"InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3",CCCC(=O)OCC,C6H12O2,pos_2MHCH3CN,116.083729624,OBNCKNCVKJNDBV,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1776,3124,-1,,,,0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton1ethylamine,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 1777,3122,-1,,,,0.0,MS1_match,ZOJSSXJDOHFOTI-HOCLYGCPSA-N,"InChI=1S/C16H26O3/c1-12(2)6-5-11-16(3,18)14-9-7-13(8-10-14)15(17)19-4/h6-7,14,18H,5,8-11H2,1-4H3/t14-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)CCC=C(C)C)CC1,C16H26O3,pos_1_1proton1ammonium,266.188194692,ZOJSSXJDOHFOTI,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1778,3121,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton1isopropanol,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 1779,3120,929,Shikimates and Phenylpropanoids,Naphthalenes,Naphthalenes and derivatives,0.0,MS1_match,QJIYGTAEIRBFIS-UHFFFAOYSA-N,"InChI=1S/C13H12O4/c1-7(14)10-4-9-5-11(8(2)15)17-12(9)6-13(10)16-3/h4-6H,1-3H3",COc1cc2oc(C(C)=O)cc2cc1C(C)=O,C13H12O4,pos_1_1proton1methanol,232.073558864,QJIYGTAEIRBFIS,Shikimates and Phenylpropanoids,Coumarins,,Scandosorbus intermedia,7637956.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Scandosorbus'],['Scandosorbus intermedia'],6,1,6.5 1780,3119,-1,,,,0.0,MS1_match,DKHSNOLJPXJJMD-GQDNDFQBSA-N,"InChI=1S/C26H26O17/c27-6-13-15(32)19(36)25(40-13)43-24(38)23-18(35)17(34)20(37)26(42-23)41-22-16(33)14-11(31)4-8(28)5-12(14)39-21(22)7-1-2-9(29)10(30)3-7/h1-5,13,15,17-20,23,25-32,34-37H,6H2/t13-,15+,17+,18+,19-,20-,23+,25+,26-/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C26H26O17,pos_1_1proton,610.116999372,DKHSNOLJPXJJMD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus idaeus,156929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus idaeus'],6,0,6.0 1781,3119,-1,,,,0.0,MS1_match,DKHSNOLJPXJJMD-GQDNDFQBSA-N,"InChI=1S/C26H26O17/c27-6-13-15(32)19(36)25(40-13)43-24(38)23-18(35)17(34)20(37)26(42-23)41-22-16(33)14-11(31)4-8(28)5-12(14)39-21(22)7-1-2-9(29)10(30)3-7/h1-5,13,15,17-20,23,25-32,34-37H,6H2/t13-,15+,17+,18+,19-,20-,23+,25+,26-/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C26H26O17,pos_1_1proton,610.116999372,DKHSNOLJPXJJMD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus,972648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Unknown'],6,0,6.0 1782,3117,891,,,,0.0,MS1_match,KOGAYLRKEMJALJ-UHFFFAOYSA-N,"InChI=1S/C27H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h9-10,17-18,20-23,28H,2-8,11-16,19,24H2,1H3",CCCCCCCCC=CCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H42O3,pos_1_minus1proton1iron,414.313395204,KOGAYLRKEMJALJ,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 1783,3117,891,,,,0.0,MS1_match,KOGAYLRKEMJALJ-UHFFFAOYSA-N,"InChI=1S/C27H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h9-10,17-18,20-23,28H,2-8,11-16,19,24H2,1H3",CCCCCCCCC=CCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H42O3,pos_1_minus1proton1iron,414.313395204,KOGAYLRKEMJALJ,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 1784,3115,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.27905327,ISDB,GKAGMQMUZOEEEM-UHFFFAOYSA-N,"InChI=1S/C14H27NO3/c1-4-5-6-7-12(16)13(17)8-9-14(18)15-10-11(2)3/h8-9,11-13,16-17H,4-7,10H2,1-3H3,(H,15,18)",CCCCCC(O)C(O)C=CC(=O)NCC(C)C,C14H27NO3,,257.199093724,GKAGMQMUZOEEEM,,,,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,0,5.116213083267212 1785,3115,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.27905327,ISDB,GKAGMQMUZOEEEM-TYDXBBDOSA-N,"InChI=1S/C14H27NO3/c1-4-5-6-7-12(16)13(17)8-9-14(18)15-10-11(2)3/h8-9,11-13,16-17H,4-7,10H2,1-3H3,(H,15,18)/b9-8+/t12-,13-/m0/s1",CCCCC[C@H](O)[C@@H](O)/C=C/C(=O)NCC(C)C,C14H27NO3,,257.199093724,GKAGMQMUZOEEEM,,,,Piper sylvaticum,366807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sylvaticum'],4,0,5.116213083267212 1786,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Sargentodoxa cuneata,639710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Lardizabalaceae'],['Unknown'],['Sargentodoxa'],['Sargentodoxa cuneata'],4,1,6.817664384841919 1787,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Isoplexis chalcantha,173921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Isoplexis'],['Isoplexis chalcantha'],4,1,6.817664384841919 1788,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Forsythia suspensa,249064.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Forsythieae'],['Forsythia'],['Forsythia suspensa'],4,1,6.817664384841919 1789,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Phlomis spinidens,6081327.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Phlomideae'],['Phlomis'],['Phlomis spinidens'],4,1,6.817664384841919 1790,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Epimedium diphyllum,749541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium diphyllum'],4,1,6.817664384841919 1791,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],4,1,6.817664384841919 1792,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Buddleja officinalis,129762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Buddlejeae'],['Buddleja'],['Buddleja officinalis'],4,1,6.817664384841919 1793,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Stachys byzantina,221882.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Stachys'],['Stachys byzantina'],4,1,6.817664384841919 1794,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,1,6.817664384841919 1795,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Penstemon acuminatus,34996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon acuminatus'],4,1,6.817664384841919 1796,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Cistanche phelypaea,675210.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Orobancheae'],['Cistanche'],['Cistanche phelypaea'],4,1,6.817664384841919 1797,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Cistanche tubulosa,368050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Orobancheae'],['Cistanche'],['Cistanche tubulosa'],4,1,6.817664384841919 1798,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Penstemon secundiflorus,673705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon secundiflorus'],4,1,6.817664384841919 1799,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Asystasia gangetica,540639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Justicieae'],['Asystasia'],['Asystasia gangetica'],4,1,6.817664384841919 1800,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Asystasia,1062445.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Justicieae'],['Asystasia'],['Unknown'],4,1,6.817664384841919 1801,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Epimedium grandiflorum,655264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium grandiflorum'],4,1,6.817664384841919 1802,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Campanula medium,112632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Campanula'],['Campanula medium'],4,1,6.817664384841919 1803,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix myrsinifolia,505755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix myrsinifolia'],4,1,6.817664384841919 1804,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix herbacea,895200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix herbacea'],4,1,6.817664384841919 1805,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Populus tremula,839584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Populus'],['Populus tremula'],4,1,6.817664384841919 1806,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],4,1,6.817664384841919 1807,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Millingtonia hortensis,1072482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Oroxyleae'],['Millingtonia'],['Millingtonia hortensis'],4,1,6.817664384841919 1808,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Digitalis chalcantha,173921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Isoplexis'],['Isoplexis chalcantha'],4,1,6.817664384841919 1809,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],4,1,6.817664384841919 1810,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Ligustrum lucidum,300838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Ligustrum'],['Ligustrum lucidum'],4,1,6.817664384841919 1811,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-PEBLQZBPSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13+,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Distylium racemosum,615343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Hamamelidaceae'],['Unknown'],['Distylium'],['Distylium racemosum'],4,1,6.817664384841919 1812,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fernandoa adenophylla,5921498.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Unknown'],['Fernandoa'],['Fernandoa adenophylla'],4,1,6.817664384841919 1813,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fernandoa,1031.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Unknown'],['Fernandoa'],['Unknown'],4,1,6.817664384841919 1814,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Campylanthus glaber,68974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Campylanthus'],['Campylanthus glaber'],4,1,6.817664384841919 1815,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fraxinus angustifolia,949520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus angustifolia'],4,1,6.817664384841919 1816,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Peucedanum japonicum,825756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Peucedanum'],['Peucedanum japonicum'],4,1,6.817664384841919 1817,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Phillyrea latifolia,558232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Phillyrea'],['Phillyrea latifolia'],4,1,6.817664384841919 1818,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Strychnos nux-vomica,125847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Loganiaceae'],['Unknown'],['Strychnos'],['Strychnos nux-vomica'],4,1,6.817664384841919 1819,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix lapponum,717152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix lapponum'],4,1,6.817664384841919 1820,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Olea europaea,23729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Olea'],['Olea europaea'],4,1,6.817664384841919 1821,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Scrophularia umbrosa,819696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia umbrosa'],4,1,6.817664384841919 1822,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Scrophularia oblongifolia,5232595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia alpestris'],4,1,6.817664384841919 1823,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Scrophularia alpestris,5232595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia alpestris'],4,1,6.817664384841919 1824,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Syringa reticulata,663556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Syringa'],['Syringa reticulata'],4,1,6.817664384841919 1825,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Inga feuillei,239873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Inga'],['Inga feuillei'],4,1,6.817664384841919 1826,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fraxinus excelsior,671802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus excelsior'],4,1,6.817664384841919 1827,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Volkameria inermis,907442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Volkameria'],['Volkameria inermis'],4,1,6.817664384841919 1828,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Clerodendrum,274806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Unknown'],4,1,6.817664384841919 1829,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Lamium galeobdolon,907333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Lamieae'],['Lamium'],['Lamium galeobdolon'],4,1,6.817664384841919 1830,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],4,1,6.817664384841919 1831,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Viburnum dilatatum,205155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum dilatatum'],4,1,6.817664384841919 1832,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix caprea,218600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix caprea'],4,1,6.817664384841919 1833,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix pentandra,738780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix pentandra'],4,1,6.817664384841919 1834,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Croton chilensis,958038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton chilensis'],4,1,6.817664384841919 1835,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Centaurea raphanina,262337.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea raphanina'],4,1,6.817664384841919 1836,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Centaurea urvillei,7613492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea urvillei'],4,1,6.817664384841919 1837,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Carica papaya,429474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Caricaceae'],['Unknown'],['Carica'],['Carica papaya'],4,1,6.817664384841919 1838,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fraxinus formosana,498392.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus formosana'],4,1,6.817664384841919 1839,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fraxinus griffithii,498394.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus griffithii'],4,1,6.817664384841919 1840,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola fastigiata,311052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola fastigiata'],4,1,6.817664384841919 1841,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Hypericum erectum,304180.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum erectum'],4,1,6.817664384841919 1842,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Aristolochia gehrtii,6028774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia gehrtii'],4,1,6.817664384841919 1843,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Aristolochia cucurbitifolia,708579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia cucurbitifolia'],4,1,6.817664384841919 1844,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola heterodonta,762829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola heterodonta'],4,1,6.817664384841919 1845,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Hydrangea chinensis,486966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea chinensis'],4,1,6.817664384841919 1846,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola sachalinensis,581648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola sachalinensis'],4,1,6.817664384841919 1847,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola rosea,914930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola rosea'],4,1,6.817664384841919 1848,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola subopposita,5729819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola subopposita'],4,1,6.817664384841919 1849,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola algida,526588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola algida'],4,1,6.817664384841919 1850,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola kirilowii,311039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola kirilowii'],4,1,6.817664384841919 1851,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola coccinea,5503321.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola coccinea'],4,1,6.817664384841919 1852,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola quadrifida,759840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola quadrifida'],4,1,6.817664384841919 1853,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola sacra,311049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola sacra'],4,1,6.817664384841919 1854,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola crenulata,1024602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola crenulata'],4,1,6.817664384841919 1855,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Ipomoea nil,77355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea nil'],4,1,6.817664384841919 1856,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix daphnoides,717164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix daphnoides'],4,1,6.817664384841919 1857,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fraxinus malacophylla,873157.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus malacophylla'],4,1,6.817664384841919 1858,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Scutellaria baicalensis,795166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria baicalensis'],4,1,6.817664384841919 1859,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix viminalis,458851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix viminalis'],4,1,6.817664384841919 1860,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix cinerea,717148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix cinerea'],4,1,6.817664384841919 1861,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix triandra,895184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix triandra'],4,1,6.817664384841919 1862,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix fragilis,895191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix fragilis'],4,1,6.817664384841919 1863,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix alba,164209.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix alba'],4,1,6.817664384841919 1864,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix babylonica,164204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix babylonica'],4,1,6.817664384841919 1865,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix phylicifolia,142970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix phylicifolia'],4,1,6.817664384841919 1866,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix purpurea,895197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix purpurea'],4,1,6.817664384841919 1867,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix arctica,775560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix arctica'],4,1,6.817664384841919 1868,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix eleagnos,696802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix elaeagnos'],4,1,6.817664384841919 1869,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix interior,738777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix interior'],4,1,6.817664384841919 1870,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix candida,72033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix candida'],4,1,6.817664384841919 1871,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rehmannia glutinosa,164453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Unknown'],['Rehmannia'],['Rehmannia glutinosa'],4,1,6.817664384841919 1872,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Pedicularis plicata,5232492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Pedicularideae'],['Pedicularis'],['Pedicularis plicata'],4,1,6.817664384841919 1873,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Plantago coronopus,989049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago coronopus'],4,1,6.817664384841919 1874,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Plantago australis,989047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago australis'],4,1,6.817664384841919 1875,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Peperomia leptostachya,600420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Peperomia'],['Peperomia leptostachya'],4,1,6.817664384841919 1876,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Peperomia humilis,3869108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Peperomia'],['Peperomia humilis'],4,1,6.817664384841919 1877,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Cistanche salsa,368049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Orobancheae'],['Cistanche'],['Cistanche salsa'],4,1,6.817664384841919 1878,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Syringa vulgaris,733236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Syringa'],['Syringa vulgaris'],4,1,6.817664384841919 1879,3114,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.5794161,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Polypremum procumbens,371364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Tetrachondraceae'],['Unknown'],['Polypremum'],['Polypremum procumbens'],4,1,6.817664384841919 1880,3113,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],7,1,7.5 1881,3113,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Cotoneaster simonsii,3903153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster simonsii'],7,1,7.5 1882,3113,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],7,1,7.5 1883,3113,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1proton1ethylamine,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,1,7.5 1884,3113,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1proton1ethylamine,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],7,1,7.5 1885,3113,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],7,1,7.5 1886,3113,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Cotoneaster simonsii,3903153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster simonsii'],7,1,7.5 1887,3113,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],7,1,7.5 1888,3113,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1proton1ethylamine,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,1,7.5 1889,3113,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1proton1ethylamine,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],7,1,7.5 1890,3112,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,ZOJSSXJDOHFOTI-HOCLYGCPSA-N,"InChI=1S/C16H26O3/c1-12(2)6-5-11-16(3,18)14-9-7-13(8-10-14)15(17)19-4/h6-7,14,18H,5,8-11H2,1-4H3/t14-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)CCC=C(C)C)CC1,C16H26O3,pos_1_1proton1ethylamine,266.188194692,ZOJSSXJDOHFOTI,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,2,7.0 1891,3111,-1,,,,0.0,MS1_match,RSKFXMDGCXLBAK-FFZDEPCBSA-N,"InChI=1S/C27H44O4/c1-17(2)13-23(29)31-22-14-19-20(30-18(3)28)15-21-24(4,5)9-8-10-26(21,7)27(19)12-11-25(22,6)16-27/h17,19-22H,8-16H2,1-7H3/t19-,20+,21+,22-,25+,26+,27+/m1/s1",CC(=O)O[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]23CC[C@@](C)(C2)[C@H](OC(=O)CC(C)C)C[C@H]13,C27H44O4,pos_1_minus1proton1iron,432.323959888,RSKFXMDGCXLBAK,Terpenoids,Diterpenoids,Villanovane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 1892,3110,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,XMXGGPVFYCGIQV-LZWOXQAQSA-N,"InChI=1S/C16H26O4/c1-11(2)14(17)9-10-16(3,19)13-7-5-12(6-8-13)15(18)20-4/h5,13-14,17,19H,1,6-10H2,2-4H3/t13-,14+,16-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC=C(C(=O)OC)CC1,C16H26O4,pos_1_1proton1ammonium,282.183109312,XMXGGPVFYCGIQV,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,2,7.0 1893,3110,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,AAXHRFJECJMASC-ZVZLTRKCSA-N,"InChI=1S/C16H26O4/c1-15(2,18)10-5-11-16(3,19)13-8-6-12(7-9-13)14(17)20-4/h5-6,10,13,18-19H,7-9,11H2,1-4H3/b10-5+/t13-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC1,C16H26O4,pos_1_1proton1ammonium,282.183109312,AAXHRFJECJMASC,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,2,7.0 1894,3109,103,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LWBHKKLWSUFUNZ-UHFFFAOYSA-N,"InChI=1S/C17H16O6/c1-21-10-6-12(19)17-13(20)8-15(23-16(17)7-10)9-3-4-14(22-2)11(18)5-9/h3-7,15,18-19H,8H2,1-2H3",COc1cc(O)c2c(c1)OC(c1ccc(OC)c(O)c1)CC2=O,C17H16O6,pos_1_1sodium,316.09468823199995,LWBHKKLWSUFUNZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,2,9.0 1895,3109,103,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LWBHKKLWSUFUNZ-UHFFFAOYSA-N,"InChI=1S/C17H16O6/c1-21-10-6-12(19)17-13(20)8-15(23-16(17)7-10)9-3-4-14(22-2)11(18)5-9/h3-7,15,18-19H,8H2,1-2H3",COc1cc(O)c2c(c1)OC(c1ccc(OC)c(O)c1)CC2=O,C17H16O6,pos_1_1sodium,316.09468823199995,LWBHKKLWSUFUNZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,2,9.0 1896,3108,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,JAELLLITIZHOGQ-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-5-6(8)9-7(2,3)4/h5H2,1-4H3",CCC(=O)OC(C)(C)C,C7H14O2,pos_2MHCH3CN,130.099379688,JAELLLITIZHOGQ,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1897,3108,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,HUAZGNHGCJGYNP-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3",CCCOC(=O)CCC,C7H14O2,pos_2MHCH3CN,130.099379688,HUAZGNHGCJGYNP,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1898,3108,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,YYLLIJHXUHJATK-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3",CC(=O)OC1CCCCC1,C8H14O2,pos_2MHNH3,142.099379688,YYLLIJHXUHJATK,,,,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1899,3108,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,PGMYKACGEOXYJE-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3",CCCCCOC(C)=O,C7H14O2,pos_2MHCH3CN,130.099379688,PGMYKACGEOXYJE,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1900,3108,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,NPFVOOAXDOBMCE-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3",CCC=CCCOC(C)=O,C8H14O2,pos_2MHNH3,142.099379688,NPFVOOAXDOBMCE,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1901,3106,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,JMQNCNOQIYLMHF-YKGOFEKOSA-N,"InChI=1S/C29H40O4/c1-16-7-8-18-11-13-27(4)19(23(18)17(16)2)9-10-21-26(3)15-20(30)24(31)29(6,25(32)33)22(26)12-14-28(21,27)5/h7-9,20-22,24,30-31H,10-15H2,1-6H3,(H,32,33)/t20-,21+,22-,24+,26-,27-,28-,29+/m1/s1",Cc1ccc2c(c1C)C1=CC[C@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C29H40O4,pos_2MMg,452.29265976,JMQNCNOQIYLMHF,Terpenoids,Triterpenoids,,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,1,6.5 1902,3105,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6483801,ISDB,CXQWRCVTCMQVQX-UHFFFAOYSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],8,3,12.093520402908325 1903,3105,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6483801,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,12.093520402908325 1904,3105,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6483801,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,12.093520402908325 1905,3105,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6483801,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,12.093520402908325 1906,3105,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6483801,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus fruticosa,821200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus fruticosa'],8,3,12.093520402908325 1907,3105,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6483801,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,12.093520402908325 1908,3105,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6483801,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,3,12.093520402908325 1909,3105,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6483801,ISDB,CXQWRCVTCMQVQX-UHFFFAOYSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,3,12.093520402908325 1910,3104,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,MROVETGJOLYNJI-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3",C=C(C)C1CCC2(C)C(=C(C)C(=O)CC2O)C1,C15H22O2,pos_1_1proton1methanol,234.161979944,MROVETGJOLYNJI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,2,8.0 1911,3104,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,MROVETGJOLYNJI-KCPJHIHWSA-N,"InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3/t11-,14-,15-/m1/s1",C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C(=O)C[C@H]2O)C1,C15H22O2,pos_1_1proton1methanol,234.161979944,MROVETGJOLYNJI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,2,8.0 1912,3103,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C=CCc1ccc(OC)c(OC)c1,C11H14O2,pos_1_1proton1isopropanol,178.099379688,ZYEMGPIYFIJGTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 1913,3102,614,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.51957,ISDB,XRCMEOXEWNTAPL-BYCMXARLSA-N,"InChI=1S/C16H24O3/c1-10-4-6-14(11(2)9-17)15-8-12(16(18)19-3)5-7-13(10)15/h8,11,14-15,17H,4-7,9H2,1-3H3/t11-,14+,15-/m1/s1",COC(=O)C1=C[C@@H]2C(=C(C)CC[C@H]2[C@H](C)CO)CC1,C16H24O3,,264.172544628,XRCMEOXEWNTAPL,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca subaxillaris,206813.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],0,3,3.578279972076416 1914,3099,4,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.45377335,ISDB,,,,,,,JEOZLTJHDSKQIT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8150933980941772 1915,3097,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1916,3096,-1,,,,0.0,MS1_match,MBWOCQLTCWTIJE-ZUGPOPFOSA-N,"InChI=1S/C21H18O14/c22-6-3-7(23)11-10(4-6)33-17(5-1-8(24)12(26)9(25)2-5)18(13(11)27)34-21-16(30)14(28)15(29)19(35-21)20(31)32/h1-4,14-16,19,21-26,28-30H,(H,31,32)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O14,pos_2_2proton2acetonitrile,494.06965525599975,MBWOCQLTCWTIJE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 1917,3096,-1,,,,0.0,MS1_match,MBWOCQLTCWTIJE-ZUGPOPFOSA-N,"InChI=1S/C21H18O14/c22-6-3-7(23)11-10(4-6)33-17(5-1-8(24)12(26)9(25)2-5)18(13(11)27)34-21-16(30)14(28)15(29)19(35-21)20(31)32/h1-4,14-16,19,21-26,28-30H,(H,31,32)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O14,pos_2_2proton2acetonitrile,494.06965525599975,MBWOCQLTCWTIJE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 1918,3094,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4315683,ISDB,VMYXUZSZMNBRCN-CQSZACIVSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1",CC(C)=CCC[C@@H](C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],5,3,8.22627317905426 1919,3094,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4315683,ISDB,VMYXUZSZMNBRCN-AWEZNQCLSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m0/s1",CC(C)=CCC[C@H](C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],5,3,8.22627317905426 1920,3092,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SMWPODZFOYKZAS-NFAHFFEMSA-N,"InChI=1S/C15H16O8/c1-22-11-7-9(3-4-10(11)13(18)19)5-6-15(23-2,14(20)21)8-12(16)17/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/b6-5+/t15-/m0/s1",COc1cc(/C=C/[C@@](CC(=O)O)(OC)C(=O)O)ccc1C(=O)O,C15H16O8,pos_1_1proton,324.084517472,SMWPODZFOYKZAS,Shikimates and Phenylpropanoids,,,Sanguisorba minor,894082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba minor'],6,1,6.5 1921,3091,-1,,,,0.0,MS1_match,FFYPJOJFUJFYAT-AWZIMYOFSA-N,"InChI=1S/C24H38O11/c1-11-7-13(25)8-24(3,4)14(11)6-5-12(2)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h5-7,12,14-23,26-31H,8-10H2,1-4H3/b6-5+/t12-,14+,15-,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_1proton1ammonium,502.241412036,FFYPJOJFUJFYAT,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 1922,3091,-1,,,,0.0,MS1_match,DQQUPMXQGJRNAW-HYPVQEEESA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_1proton1ammonium,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 1923,3091,-1,,,,0.0,MS1_match,DQQUPMXQGJRNAW-HYPVQEEESA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_1proton1ammonium,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 1924,3090,-1,,,,0.0,MS1_match,JPMYFOBNRRGFNO-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,JPMYFOBNRRGFNO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,0,8.0 1925,3090,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 1926,3090,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 1927,3090,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 1928,3090,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,0,8.0 1929,3090,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,0,8.0 1930,3090,-1,,,,0.0,MS1_match,WUADCCWRTIWANL-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3",COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,WUADCCWRTIWANL,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 1931,3090,-1,,,,0.0,MS1_match,JPMYFOBNRRGFNO-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,JPMYFOBNRRGFNO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,0,8.0 1932,3090,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,0,8.0 1933,3090,-1,,,,0.0,MS1_match,JPMYFOBNRRGFNO-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,JPMYFOBNRRGFNO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,0,8.0 1934,3090,-1,,,,0.0,MS1_match,IAUDUEQNUVKNBT-SOFGYWHQSA-N,"InChI=1S/C19H20O6/c1-22-13-7-5-12(17(10-13)24-3)6-8-15(20)19-16(21)9-14(23-2)11-18(19)25-4/h5-11,21H,1-4H3/b8-6+",COc1ccc(/C=C/C(=O)c2c(O)cc(OC)cc2OC)c(OC)c1,C19H20O6,pos_1_1proton,344.12598835999995,IAUDUEQNUVKNBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 1935,3089,-1,,,,0.0,MS1_match,GWQDOJFHKGUWPV-UXFCLIIPSA-N,"InChI=1S/C16H22O9/c1-6-2-3-7-8(5-23-15(22)10(6)7)14(21)25-16-13(20)12(19)11(18)9(4-17)24-16/h7-9,11-13,16-20H,2-5H2,1H3/t7-,8+,9+,11+,12-,13+,16-/m0/s1",CC1=C2C(=O)OC[C@@H](C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2CC1,C16H22O9,pos_1_1potassium,358.126382284,GWQDOJFHKGUWPV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 1936,3089,-1,,,,0.0,MS1_match,UBZBPKARIHPOEC-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-13-7-9(5-6-10(13)20)12-8-11(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3",COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)ccc1O,C19H18O8,pos_1_1sodium,374.100167536,UBZBPKARIHPOEC,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Sorbus pallescens,3903574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus pallescens'],7,0,7.0 1937,3085,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1938,3083,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTJLOZXIIDPIFA-OUOAPTIVSA-N,"InChI=1S/C16H22O9/c1-24-13-6-9(2-4-10(13)18)3-5-14(21)25-8-12(20)16(23)15(22)11(19)7-17/h2-6,11-12,15-20,22-23H,7-8H2,1H3/b5-3+/t11-,12+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H22O9,pos_1_1proton1ethylamine,358.126382284,DTJLOZXIIDPIFA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sibiraea angustata,1004734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Sibiraea'],['Sibiraea angustata'],6,3,7.5 1939,3082,390,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,pos_1_1proton,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1940,3081,138,Shikimates and Phenylpropanoids,Cyclic polyketides,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 1941,3081,138,Shikimates and Phenylpropanoids,Cyclic polyketides,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 1942,3081,138,Shikimates and Phenylpropanoids,Cyclic polyketides,Simple coumarins,0.0,MS1_match,CIWXNUFLRXYBQV-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-8-4-3-7-6(10(8)12)2-5-9(11)14-7/h2-5,12H,1H3",COc1ccc2oc(=O)ccc2c1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,CIWXNUFLRXYBQV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 1943,3080,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1944,3078,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4315683,ISDB,VMYXUZSZMNBRCN-CQSZACIVSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1",CC(C)=CCC[C@@H](C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],5,3,8.22627317905426 1945,3078,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4315683,ISDB,VMYXUZSZMNBRCN-AWEZNQCLSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m0/s1",CC(C)=CCC[C@H](C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],5,3,8.22627317905426 1946,3076,966,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.6648264,ISDB,HGXBRUKMWQGOIE-AFHBHXEDSA-N,"InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O)c(OC)c2)ccc1O,C20H22O6,,358.141638424,HGXBRUKMWQGOIE,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,12.159305572509766 1947,3076,966,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.6648264,ISDB,HGXBRUKMWQGOIE-AFHBHXEDSA-N,"InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O)c(OC)c2)ccc1O,C20H22O6,,358.141638424,HGXBRUKMWQGOIE,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,12.159305572509766 1948,3076,966,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.6648264,ISDB,HGXBRUKMWQGOIE-AFHBHXEDSA-N,"InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O)c(OC)c2)ccc1O,C20H22O6,,358.141638424,HGXBRUKMWQGOIE,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,12.159305572509766 1949,3076,966,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.6648264,ISDB,HGXBRUKMWQGOIE-AFHBHXEDSA-N,"InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O)c(OC)c2)ccc1O,C20H22O6,,358.141638424,HGXBRUKMWQGOIE,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,12.159305572509766 1950,3075,607,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,XNGZKGIFXTWBFN-JYHBIOJMSA-N,"InChI=1S/C30H24O12/c31-12-4-17(33)13-7-23-28(39-21(13)5-12)29-10-30(38,42-23)24(37)8-15(29)25-22(41-29)9-18(34)14-6-20(36)26(40-27(14)25)11-1-2-16(32)19(35)3-11/h1-5,8-9,20,23,26,28,31-36,38H,6-7,10H2/t20-,23-,26+,28-,29+,30+/m1/s1",O=C1C=C2c3c(cc(O)c4c3O[C@@H](c3ccc(O)c(O)c3)[C@H](O)C4)O[C@@]23C[C@]1(O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]13,C30H24O12,pos_1_1proton,576.126776208,XNGZKGIFXTWBFN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 1951,3075,607,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-VCFSXNJSSA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27+,29-,30+/m0/s1",Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C4,C30H24O12,pos_1_1proton,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 1952,3075,607,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-VCFSXNJSSA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27+,29-,30+/m0/s1",Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C4,C30H24O12,pos_1_1proton,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 1953,3075,607,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,XNGZKGIFXTWBFN-JYHBIOJMSA-N,"InChI=1S/C30H24O12/c31-12-4-17(33)13-7-23-28(39-21(13)5-12)29-10-30(38,42-23)24(37)8-15(29)25-22(41-29)9-18(34)14-6-20(36)26(40-27(14)25)11-1-2-16(32)19(35)3-11/h1-5,8-9,20,23,26,28,31-36,38H,6-7,10H2/t20-,23-,26+,28-,29+,30+/m1/s1",O=C1C=C2c3c(cc(O)c4c3O[C@@H](c3ccc(O)c(O)c3)[C@H](O)C4)O[C@@]23C[C@]1(O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]13,C30H24O12,pos_1_1proton,576.126776208,XNGZKGIFXTWBFN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 1954,3075,607,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MSVVDBMAVSBGAQ-OUECKCITSA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-23(8-13)41-30(12-2-4-16(33)19(36)6-12)29(42-30)26(24)25-21(38)10-17(34)14-9-22(39)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-27,29,31-39H,9H2/t22-,26+,27-,29+,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)O[C@H]1[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H24O12,pos_1_1proton,576.1267762079998,MSVVDBMAVSBGAQ,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 1955,3074,977,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1proton1ethylamine,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 1956,3074,977,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1proton1ethylamine,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 1957,3074,977,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1proton1ethylamine,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 1958,3074,977,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1proton1ethylamine,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 1959,3074,977,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1proton1ethylamine,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 1960,3074,977,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1proton1ethylamine,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 1961,3073,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,RAFHNDRXYHOLSH-SFTVRKLSSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O11,pos_1_1proton,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1962,3073,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,RAFHNDRXYHOLSH-SFTVRKLSSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O11,pos_1_1proton,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1963,3073,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,RAFHNDRXYHOLSH-SFTVRKLSSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O11,pos_1_1proton,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 1964,3072,712,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Anthocyanidins,0.0,MS1_match,KZMACGJDUUWFCH-UHFFFAOYSA-O,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(OC)c1O,C17H15O7+,pos_1_1sodium,331.08122924008995,KZMACGJDUUWFCH,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 1965,3071,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_1_1sodium,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 1966,3071,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_1_1sodium,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 1967,3071,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_1_1sodium,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 1968,3071,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_1_1sodium,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 1969,3071,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_1_1sodium,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 1970,3071,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_1_1sodium,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 1971,3070,-1,,,,0.0,MS1_match,LCTOQECBRZFOCD-MXWZVQRBSA-N,"InChI=1S/C27H32O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-6,9,15-16,19-23,25-31,33-37H,7-8H2,1H3/t9-,15+,16+,19-,20+,21+,22-,23+,25-,26+,27-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc(O)c3c2O[C@@H](c2ccc(O)cc2)CC3=O)[C@H](O)[C@H](O)[C@H]1O,C27H32O14,pos_1_1proton1ethylamine,580.179205704,LCTOQECBRZFOCD,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 1972,3068,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,RAFHNDRXYHOLSH-UHFFFAOYSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21,C21H22O11,pos_1_1proton,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 1973,3068,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,RAFHNDRXYHOLSH-UHFFFAOYSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21,C21H22O11,pos_1_1proton,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 1974,3068,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,RAFHNDRXYHOLSH-UHFFFAOYSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21,C21H22O11,pos_1_1proton,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 1975,3067,-1,,,,0.0,MS1_match,MWGNJVCCJCKLGJ-UHFFFAOYSA-N,"InChI=1S/C30H36O10/c1-36-25-11-17(4-7-22(25)33)10-20-16-39-30(21(20)14-31)19-6-9-24(27(13-19)38-3)40-28(15-32)29(35)18-5-8-23(34)26(12-18)37-2/h4-9,11-13,20-21,28-35H,10,14-16H2,1-3H3",COc1cc(CC2COC(c3ccc(OC(CO)C(O)c4ccc(O)c(OC)c4)c(OC)c3)C2CO)ccc1O,C30H36O10,pos_1_1sodium,556.230847352,MWGNJVCCJCKLGJ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 1976,3067,-1,,,,0.0,MS1_match,MWGNJVCCJCKLGJ-UHFFFAOYSA-N,"InChI=1S/C30H36O10/c1-36-25-11-17(4-7-22(25)33)10-20-16-39-30(21(20)14-31)19-6-9-24(27(13-19)38-3)40-28(15-32)29(35)18-5-8-23(34)26(12-18)37-2/h4-9,11-13,20-21,28-35H,10,14-16H2,1-3H3",COc1cc(CC2COC(c3ccc(OC(CO)C(O)c4ccc(O)c(OC)c4)c(OC)c3)C2CO)ccc1O,C30H36O10,pos_1_1sodium,556.230847352,MWGNJVCCJCKLGJ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 1977,3066,-1,,,,0.0,MS1_match,KMOHJUXDKSMQOG-NCLAQALISA-N,"InChI=1S/C39H32O14/c1-20-35(51-30(45)16-6-21-2-10-24(40)11-3-21)34(48)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-33(47)32-28(44)18-27(43)19-29(32)50-36(37)23-8-14-26(42)15-9-23/h2-20,34-35,38-44,48H,1H3/b16-6+,17-7+/t20-,34+,35-,38+,39-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1,C39H32O14,pos_1_1proton,724.179205704,KMOHJUXDKSMQOG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 1978,3066,-1,,,,0.0,MS1_match,RMHWAEFAOBGGBH-GLRBGJJXSA-N,"InChI=1S/C39H32O14/c1-20-35(51-30(45)16-6-21-2-10-24(40)11-3-21)38(52-31(46)17-7-22-4-12-25(41)13-5-22)34(48)39(49-20)53-37-33(47)32-28(44)18-27(43)19-29(32)50-36(37)23-8-14-26(42)15-9-23/h2-20,34-35,38-44,48H,1H3/b16-6+,17-7+/t20-,34+,35-,38-,39-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H]1OC(=O)/C=C/c1ccc(O)cc1,C39H32O14,pos_1_1proton,724.179205704,RMHWAEFAOBGGBH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 1979,3061,-1,,,,0.0,MS1_match,UXXAEVMOIUAYQT-UFGFRKJLSA-N,"InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-12(25)6-10(23)7-14(15)32-20(21)9-3-4-11(24)13(5-9)30-2/h3-8,16,18-19,22-26,28-29H,1-2H3/t8-,16-,18+,19+,22-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C22H22O11,pos_1_1sodium,462.1162115239998,UXXAEVMOIUAYQT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 1980,3061,-1,,,,0.0,MS1_match,UXXAEVMOIUAYQT-UFGFRKJLSA-N,"InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-12(25)6-10(23)7-14(15)32-20(21)9-3-4-11(24)13(5-9)30-2/h3-8,16,18-19,22-26,28-29H,1-2H3/t8-,16-,18+,19+,22-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C22H22O11,pos_1_1sodium,462.1162115239998,UXXAEVMOIUAYQT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 1981,3061,-1,,,,0.0,MS1_match,HUKWADINTARKBT-DDYRGYEHSA-N,"InChI=1S/C23H23NO9/c24-11-17(14-4-2-1-3-5-14)32-23-22(30)21(29)20(28)18(33-23)12-31-19(27)9-7-13-6-8-15(25)16(26)10-13/h1-10,17-18,20-23,25-26,28-30H,12H2/b9-7+/t17-,18+,20+,21-,22+,23+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C23H23NO9,pos_2MFe,457.137281316,HUKWADINTARKBT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 1982,3061,-1,,,,0.0,MS1_match,HUKWADINTARKBT-DDYRGYEHSA-N,"InChI=1S/C23H23NO9/c24-11-17(14-4-2-1-3-5-14)32-23-22(30)21(29)20(28)18(33-23)12-31-19(27)9-7-13-6-8-15(25)16(26)10-13/h1-10,17-18,20-23,25-26,28-30H,12H2/b9-7+/t17-,18+,20+,21-,22+,23+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C23H23NO9,pos_2MFe,457.137281316,HUKWADINTARKBT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 1983,3061,-1,,,,0.0,MS1_match,XJQKYCNSLNPXDD-XMHBHJPISA-N,"InChI=1S/C22H22O11/c1-30-10-4-2-9(3-5-10)21-19(28)17(26)15-12(24)6-11(7-13(15)32-21)31-22-20(29)18(27)16(25)14(8-23)33-22/h2-7,14,16,18,20,22-25,27-29H,8H2,1H3/t14-,16-,18+,20-,22-/m1/s1",COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O)cc1,C22H22O11,pos_1_1sodium,462.1162115239998,XJQKYCNSLNPXDD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 1984,3061,-1,,,,0.0,MS1_match,XJQKYCNSLNPXDD-XMHBHJPISA-N,"InChI=1S/C22H22O11/c1-30-10-4-2-9(3-5-10)21-19(28)17(26)15-12(24)6-11(7-13(15)32-21)31-22-20(29)18(27)16(25)14(8-23)33-22/h2-7,14,16,18,20,22-25,27-29H,8H2,1H3/t14-,16-,18+,20-,22-/m1/s1",COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O)cc1,C22H22O11,pos_1_1sodium,462.1162115239998,XJQKYCNSLNPXDD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 1985,3060,694,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,YBLJYSTXRAWBBH-WLDMJGECSA-N,"InChI=1S/C7H14O6/c1-7(12)6(11)5(10)4(9)3(2-8)13-7/h3-6,8-12H,2H2,1H3/t3-,4-,5+,6-,7?/m1/s1",CC1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1proton1ammonium,194.079038168,YBLJYSTXRAWBBH,Carbohydrates,Saccharides,Monosaccharides,Rubus ulmifolius,618036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ulmifolius'],6,3,7.5 1986,3059,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ammonium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1987,3059,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ammonium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1988,3059,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ammonium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 1989,3058,508,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,GDVRUDXLQBVIKP-UHFFFAOYSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2",O=C(OC1OC(CO)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton1acetonitrile,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 1990,3058,508,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FUUSOIOWAGMHTM-HSQZMIOISA-N,"InChI=1S/C13H16O10/c14-3-6-9(18)10(19)11(20)13(22-6)23-12(21)4-1-2-5(15)8(17)7(4)16/h1-2,6,9-11,13-20H,3H2/t6-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)c(O)c1O,C13H16O10,pos_1_1proton1acetonitrile,332.074346712,FUUSOIOWAGMHTM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 1991,3057,-1,,,,0.0,MS1_match,TUDVISHNHBQYQJ-MCIHCYAUSA-N,"InChI=1S/C24H40O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h7,13,15-22,25,27-31H,5-6,8-11H2,1-4H3/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H40O11,pos_1_1sodium,504.2570621,TUDVISHNHBQYQJ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 1992,3057,-1,,,,0.0,MS1_match,TUDVISHNHBQYQJ-MCIHCYAUSA-N,"InChI=1S/C24H40O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h7,13,15-22,25,27-31H,5-6,8-11H2,1-4H3/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H40O11,pos_1_1sodium,504.2570621,TUDVISHNHBQYQJ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 1993,3057,-1,,,,0.0,MS1_match,NQBMFFMRSAECDY-DDEFCHDZSA-N,"InChI=1S/C24H40O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13-22,25-31H,8-11H2,1-4H3/b6-5+/t13-,14-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H40O11,pos_1_1sodium,504.2570621,NQBMFFMRSAECDY,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 1994,3057,-1,,,,0.0,MS1_match,NQBMFFMRSAECDY-DDEFCHDZSA-N,"InChI=1S/C24H40O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13-22,25-31H,8-11H2,1-4H3/b6-5+/t13-,14-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H40O11,pos_1_1sodium,504.2570621,NQBMFFMRSAECDY,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 1995,3057,-1,,,,0.0,MS1_match,HEPRIYFSINSFQU-BVMAHHMQSA-N,"InChI=1S/C24H40O11/c1-11-7-13(8-24(3,4)14(11)6-5-12(2)25)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h13,15-23,26-31H,5-10H2,1-4H3/t13-,15-,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1",CC(=O)CCC1=C(C)C[C@@H](O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C24H40O11,pos_1_1sodium,504.2570621,HEPRIYFSINSFQU,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 1996,3057,-1,,,,0.0,MS1_match,AJRISGAWWVRQCV-UHFFFAOYSA-N,"InChI=1S/C29H44O5/c1-32-27-22-21-26(25-28(27)33-2)19-18-24-34-29(31)20-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-23-30/h3-4,7,9,18-19,21-22,25,30H,5-6,8,10-17,20,23-24H2,1-2H3",COc1ccc(C=CCOC(=O)CCCCCCCC=CCC=CCCCCCO)cc1OC,C29H44O5,pos_1_minus1proton1iron,472.318874508,AJRISGAWWVRQCV,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 1997,3057,-1,,,,0.0,MS1_match,AJRISGAWWVRQCV-FATIFAFYSA-N,"InChI=1S/C29H44O5/c1-32-27-22-21-26(25-28(27)33-2)19-18-24-34-29(31)20-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-23-30/h3-4,7,9,18-19,21-22,25,30H,5-6,8,10-17,20,23-24H2,1-2H3/b4-3-,9-7-,19-18+",COc1ccc(/C=C/COC(=O)CCCCCCC/C=C\C/C=C\CCCCCO)cc1OC,C29H44O5,pos_1_minus1proton1iron,472.318874508,AJRISGAWWVRQCV,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 1998,3056,-1,,,,0.0,MS1_match,ZOJSSXJDOHFOTI-HOCLYGCPSA-N,"InChI=1S/C16H26O3/c1-12(2)6-5-11-16(3,18)14-9-7-13(8-10-14)15(17)19-4/h6-7,14,18H,5,8-11H2,1-4H3/t14-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)CCC=C(C)C)CC1,C16H26O3,pos_2MH,266.188194692,ZOJSSXJDOHFOTI,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 1999,3056,-1,,,,0.0,MS1_match,AJRISGAWWVRQCV-UHFFFAOYSA-N,"InChI=1S/C29H44O5/c1-32-27-22-21-26(25-28(27)33-2)19-18-24-34-29(31)20-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-23-30/h3-4,7,9,18-19,21-22,25,30H,5-6,8,10-17,20,23-24H2,1-2H3",COc1ccc(C=CCOC(=O)CCCCCCCC=CCC=CCCCCCO)cc1OC,C29H44O5,pos_1_1proton1isopropanol,472.318874508,AJRISGAWWVRQCV,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 2000,3056,-1,,,,0.0,MS1_match,AJRISGAWWVRQCV-FATIFAFYSA-N,"InChI=1S/C29H44O5/c1-32-27-22-21-26(25-28(27)33-2)19-18-24-34-29(31)20-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-23-30/h3-4,7,9,18-19,21-22,25,30H,5-6,8,10-17,20,23-24H2,1-2H3/b4-3-,9-7-,19-18+",COc1ccc(/C=C/COC(=O)CCCCCCC/C=C\C/C=C\CCCCCO)cc1OC,C29H44O5,pos_1_1proton1isopropanol,472.318874508,AJRISGAWWVRQCV,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2001,3054,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.32816383,ISDB,GTBFQOGSRWBGDY-UJHNSAFVSA-N,"InChI=1S/C27H34O/c1-24(2)21-11-13-27-15-14-25(3,18-27)12-10-22(27)26(21,4)17-20(23(24)28)16-19-8-6-5-7-9-19/h5-9,14-16,21-22H,10-13,17-18H2,1-4H3/b20-16+/t21-,22+,25-,26-,27+/m1/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@H]12)C3,C27H34O,,374.260965708,GTBFQOGSRWBGDY,Terpenoids,Diterpenoids,Beyerane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,1,5.812655329704285 2002,3053,-1,,,,0.2979357,ISDB,,,,,,,JETWTJJKCQERGG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1917427778244019 2003,3052,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,ZCNREQTVGGXJTO-YEEDDRBPSA-N,"InChI=1S/C18H32O10/c1-3-4-5-6-7-25-17-16(24)14(22)12(20)10(28-17)8-26-18-15(23)13(21)11(19)9(2)27-18/h4-5,9-24H,3,6-8H2,1-2H3/t9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1",CCC=CCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H32O10,pos_1_1proton1ethylamine,408.199547224,ZCNREQTVGGXJTO,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 2004,3051,493,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,0.0,MS1_match,OFUWGCQDMVDLIR-UHFFFAOYSA-N,"InChI=1S/C22H22O10/c1-29-12-6-14(24)17-15(7-12)30-9-13(18(17)25)10-2-4-11(5-3-10)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3",COc1cc(O)c2c(=O)c(-c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)coc2c1,C22H22O10,pos_1_1sodium,446.121296904,OFUWGCQDMVDLIR,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus,731578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Unknown'],8,3,9.5 2005,3051,493,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,0.0,MS1_match,AJAGLPDYKVWJQE-AREMEKFRSA-N,"InChI=1S/C22H22O10/c1-29-12-6-14-17(18(25)13(9-30-14)10-2-4-11(24)5-3-10)15(7-12)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22?/m0/s1",COc1cc(OC2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C22H22O10,pos_1_1sodium,446.121296904,AJAGLPDYKVWJQE,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,3,9.5 2006,3051,493,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,0.0,MS1_match,OFUWGCQDMVDLIR-UHFFFAOYSA-N,"InChI=1S/C22H22O10/c1-29-12-6-14(24)17-15(7-12)30-9-13(18(17)25)10-2-4-11(5-3-10)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3",COc1cc(O)c2c(=O)c(-c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)coc2c1,C22H22O10,pos_1_1sodium,446.121296904,OFUWGCQDMVDLIR,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus,731578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Unknown'],8,3,9.5 2007,3051,493,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,0.0,MS1_match,AJAGLPDYKVWJQE-AREMEKFRSA-N,"InChI=1S/C22H22O10/c1-29-12-6-14-17(18(25)13(9-30-14)10-2-4-11(24)5-3-10)15(7-12)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22?/m0/s1",COc1cc(OC2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C22H22O10,pos_1_1sodium,446.121296904,AJAGLPDYKVWJQE,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 2008,3051,493,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,0.0,MS1_match,AJAGLPDYKVWJQE-RECXWPGBSA-N,"InChI=1S/C22H22O10/c1-29-12-6-14-17(18(25)13(9-30-14)10-2-4-11(24)5-3-10)15(7-12)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C22H22O10,pos_1_1sodium,446.121296904,AJAGLPDYKVWJQE,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2009,3048,-1,,,,0.0,MS1_match,WGPMCTNBJPAHNW-BYOLIVPTSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O12,pos_1_1proton1ethylamine,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 2010,3048,-1,,,,0.0,MS1_match,WGPMCTNBJPAHNW-BYOLIVPTSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O12,pos_1_1proton1ethylamine,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2011,3048,-1,,,,0.0,MS1_match,WGPMCTNBJPAHNW-UHFFFAOYSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3",CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C24H38O12,pos_1_1proton1ethylamine,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 2012,3048,-1,,,,0.0,MS1_match,WGPMCTNBJPAHNW-BYOLIVPTSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O12,pos_1_1proton1ethylamine,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 2013,3048,-1,,,,0.0,MS1_match,WGPMCTNBJPAHNW-BYOLIVPTSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O12,pos_1_1proton1ethylamine,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2014,3048,-1,,,,0.0,MS1_match,WGPMCTNBJPAHNW-UHFFFAOYSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3",CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C24H38O12,pos_1_1proton1ethylamine,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 2015,3048,-1,,,,0.0,MS1_match,ZHAMWJWQXSZIAQ-UHFFFAOYSA-N,"InChI=1S/C24H38O12/c1-11-7-13(25)8-23(3,4)24(11,32)6-5-12(2)35-22-20(31)18(29)17(28)15(36-22)10-34-21-19(30)16(27)14(26)9-33-21/h5-7,12,14-22,26-32H,8-10H2,1-4H3",CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O,C24H38O12,pos_1_1proton1ethylamine,518.236326656,ZHAMWJWQXSZIAQ,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 2016,3048,-1,,,,0.0,MS1_match,JYBWSFINAXRKBZ-IOMWXWTFSA-N,"InChI=1S/C24H42O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h7,13-21,25-32H,5-6,8-11H2,1-4H3/t13-,14-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H42O12,pos_1_1proton1acetonitrile,522.267626784,JYBWSFINAXRKBZ,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 2017,3048,-1,,,,0.0,MS1_match,JYBWSFINAXRKBZ-IOMWXWTFSA-N,"InChI=1S/C24H42O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h7,13-21,25-32H,5-6,8-11H2,1-4H3/t13-,14-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H42O12,pos_1_1proton1acetonitrile,522.267626784,JYBWSFINAXRKBZ,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2018,3045,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,LLEMMFPELBNINR-SKYGPZSASA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,LLEMMFPELBNINR,,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 2019,3045,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,LLEMMFPELBNINR-SKYGPZSASA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,LLEMMFPELBNINR,,,,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 2020,3045,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,LLEMMFPELBNINR-SKYGPZSASA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,LLEMMFPELBNINR,,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 2021,3043,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OWZQLGWYJGXUMM-SUMWQHHRSA-N,"InChI=1S/C17H18O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-16(21-2)14(18)7-12(15)17(13)19/h3-8,13,17-19H,9H2,1-2H3/t13-,17+/m0/s1",COc1ccc([C@@H]2COc3cc(OC)c(O)cc3[C@H]2O)cc1,C17H18O5,pos_2_1magnesium,302.115423676,OWZQLGWYJGXUMM,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,1,6.5 2022,3043,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VSAAZASKZGNSDL-SUMWQHHRSA-N,"InChI=1S/C17H18O5/c1-20-15-7-12-14(8-16(15)21-2)22-9-13(17(12)19)10-3-5-11(18)6-4-10/h3-8,13,17-19H,9H2,1-2H3/t13-,17+/m0/s1",COc1cc2c(cc1OC)[C@@H](O)[C@H](c1ccc(O)cc1)CO2,C17H18O5,pos_2_1magnesium,302.115423676,VSAAZASKZGNSDL,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,1,6.5 2023,3042,1,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.27503088,ISDB,LKCOZWLUAKSRQM-UMAWSMADSA-N,"InChI=1S/C24H20O9/c25-14-3-1-10(5-17(14)28)12-8-21(31)32-20-9-16(27)13-7-19(30)23(33-24(13)22(12)20)11-2-4-15(26)18(29)6-11/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19-,23-/m1/s1",O=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1,C24H20O9,,452.1107322199999,LKCOZWLUAKSRQM,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,8.600123524665833 2024,3041,-1,,,,0.0,MS1_match,QSLBWGKNSBMTJL-UHFFFAOYSA-N,"InChI=1S/C22H24O11/c1-30-13-3-2-9(4-11(13)25)14-7-12(26)18-15(31-14)5-10(24)6-16(18)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3",COc1ccc(C2CC(=O)c3c(cc(O)cc3OC3OC(CO)C(O)C(O)C3O)O2)cc1O,C22H24O11,pos_1_1sodium,464.131861588,QSLBWGKNSBMTJL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],6,0,6.0 2025,3041,-1,,,,0.0,MS1_match,QSLBWGKNSBMTJL-UHFFFAOYSA-N,"InChI=1S/C22H24O11/c1-30-13-3-2-9(4-11(13)25)14-7-12(26)18-15(31-14)5-10(24)6-16(18)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3",COc1ccc(C2CC(=O)c3c(cc(O)cc3OC3OC(CO)C(O)C(O)C3O)O2)cc1O,C22H24O11,pos_1_1sodium,464.131861588,QSLBWGKNSBMTJL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 2026,3041,-1,,,,0.0,MS1_match,QSLBWGKNSBMTJL-UHFFFAOYSA-N,"InChI=1S/C22H24O11/c1-30-13-3-2-9(4-11(13)25)14-7-12(26)18-15(31-14)5-10(24)6-16(18)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3",COc1ccc(C2CC(=O)c3c(cc(O)cc3OC3OC(CO)C(O)C(O)C3O)O2)cc1O,C22H24O11,pos_1_1sodium,464.131861588,QSLBWGKNSBMTJL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],6,0,6.0 2027,3041,-1,,,,0.0,MS1_match,QSLBWGKNSBMTJL-UHFFFAOYSA-N,"InChI=1S/C22H24O11/c1-30-13-3-2-9(4-11(13)25)14-7-12(26)18-15(31-14)5-10(24)6-16(18)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3",COc1ccc(C2CC(=O)c3c(cc(O)cc3OC3OC(CO)C(O)C(O)C3O)O2)cc1O,C22H24O11,pos_1_1sodium,464.131861588,QSLBWGKNSBMTJL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 2028,3040,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,SHZGCJCMOBCMKK-HGVZOGFYSA-N,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1",C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O,C6H12O5,pos_2MHCH3CN,164.068473484,SHZGCJCMOBCMKK,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 2029,3039,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 2030,3039,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 2031,3039,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 2032,3039,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 2033,3038,-1,,,,0.0,MS1_match,UPASGSSMBIZMDX-WNENLGFLSA-N,"InChI=1S/C24H28O10/c1-31-18-12-15(4-8-17(18)26)5-9-20(27)33-13-19-21(28)22(29)23(30)24(34-19)32-11-10-14-2-6-16(25)7-3-14/h2-9,12,19,21-26,28-30H,10-11,13H2,1H3/b9-5+/t19-,21-,22+,23-,24-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C24H28O10,pos_2_2sodium,476.168247096,UPASGSSMBIZMDX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],6,0,6.0 2034,3038,-1,,,,0.0,MS1_match,GTNBYGORCDLAFG-KAJSMZSISA-N,"InChI=1S/C24H28O10/c1-31-14-5-2-12(3-6-14)4-7-15-8-13-9-16(10-17(26)19(13)23(30)32-15)33-24-22(29)21(28)20(27)18(11-25)34-24/h2-3,5-6,9-10,15,18,20-22,24-29H,4,7-8,11H2,1H3/t15-,18+,20+,21-,22+,24+/m0/s1",COc1ccc(CC[C@H]2Cc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3C(=O)O2)cc1,C24H28O10,pos_2_2sodium,476.1682470959998,GTNBYGORCDLAFG,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,6.0 2035,3037,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1proton1ethylamine,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 2036,3037,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1proton1ethylamine,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 2037,3035,-1,,,,0.0,MS1_match,QYIXCDOBOSTCEI-PNIPQYGLSA-N,"InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H48O,pos_1_minus1proton1iron,388.370516156,QYIXCDOBOSTCEI,Terpenoids,Steroids,Cholestane steroids,Rubus crataegifolius,148062.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus crataegifolius'],6,0,6.0 2038,3035,-1,,,,0.0,MS1_match,QYIXCDOBOSTCEI-PNIPQYGLSA-N,"InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H48O,pos_1_minus1proton1iron,388.370516156,QYIXCDOBOSTCEI,Terpenoids,Steroids,Cholestane steroids,Rubus crataegifolius,148062.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus crataegifolius'],6,0,6.0 2039,3034,577,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1ammonium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2040,3034,577,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1ammonium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2041,3032,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 2042,3032,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1proton,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 2043,3032,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 2044,3032,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-ZFDPGQBLSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15-,17-,18+,20-,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2045,3032,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 2046,3032,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZEJXENDZTYVXDP-CSJHBIPPSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.1584702600001,ZEJXENDZTYVXDP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 2047,3032,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZEJXENDZTYVXDP-CSJHBIPPSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.1584702600001,ZEJXENDZTYVXDP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 2048,3032,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SOVOSNMYOLGARG-QETNVOEASA-N,"InChI=1S/C27H30O15/c1-9-17(30)20(33)23(36)26(39-9)38-8-15-18(31)21(34)24(37)27(42-15)40-12-6-13(29)16-14(7-12)41-25(22(35)19(16)32)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-21,23-24,26-31,33-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,SOVOSNMYOLGARG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 2049,3032,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AZFYHRHUTXBGJS-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12,C16H12O7,pos_1_1proton,316.058302724,AZFYHRHUTXBGJS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 2050,3032,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 2051,3029,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SMWPODZFOYKZAS-NFAHFFEMSA-N,"InChI=1S/C15H16O8/c1-22-11-7-9(3-4-10(11)13(18)19)5-6-15(23-2,14(20)21)8-12(16)17/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/b6-5+/t15-/m0/s1",COc1cc(/C=C/[C@@](CC(=O)O)(OC)C(=O)O)ccc1C(=O)O,C15H16O8,pos_1_1proton,324.084517472,SMWPODZFOYKZAS,Shikimates and Phenylpropanoids,,,Sanguisorba minor,894082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba minor'],6,1,6.5 2052,3026,-1,,,,0.0,MS1_match,AONAZOLOPHLZDH-LLFZRSNRSA-N,"InChI=1S/C21H25NO5S/c1-7-10(2)20(24)26-13-8-14(21(5,6)25)27-18-15(11(13)3)19-16(22-9-28-19)12(4)17(18)23/h7,9,13-14,23,25H,3,8H2,1-2,4-6H3/b10-7-/t13-,14+/m1/s1",C=C1c2c(c(O)c(C)c3ncsc23)O[C@H](C(C)(C)O)C[C@H]1OC(=O)/C(C)=C\C,C21H25NO5S,pos_1_1proton,403.14534390000006,AONAZOLOPHLZDH,,,,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 2053,3026,-1,,,,0.0,MS1_match,AONAZOLOPHLZDH-UHFFFAOYSA-N,"InChI=1S/C21H25NO5S/c1-7-10(2)20(24)26-13-8-14(21(5,6)25)27-18-15(11(13)3)19-16(22-9-28-19)12(4)17(18)23/h7,9,13-14,23,25H,3,8H2,1-2,4-6H3",C=C1c2c(c(O)c(C)c3ncsc23)OC(C(C)(C)O)CC1OC(=O)C(C)=CC,C21H25NO5S,pos_1_1proton,403.1453439,AONAZOLOPHLZDH,,,,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 2054,3026,-1,,,,0.0,MS1_match,AONAZOLOPHLZDH-LLFZRSNRSA-N,"InChI=1S/C21H25NO5S/c1-7-10(2)20(24)26-13-8-14(21(5,6)25)27-18-15(11(13)3)19-16(22-9-28-19)12(4)17(18)23/h7,9,13-14,23,25H,3,8H2,1-2,4-6H3/b10-7-/t13-,14+/m1/s1",C=C1c2c(c(O)c(C)c3ncsc23)O[C@H](C(C)(C)O)C[C@H]1OC(=O)/C(C)=C\C,C21H25NO5S,pos_1_1proton,403.14534390000006,AONAZOLOPHLZDH,,,,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 2055,3026,-1,,,,0.0,MS1_match,AONAZOLOPHLZDH-UHFFFAOYSA-N,"InChI=1S/C21H25NO5S/c1-7-10(2)20(24)26-13-8-14(21(5,6)25)27-18-15(11(13)3)19-16(22-9-28-19)12(4)17(18)23/h7,9,13-14,23,25H,3,8H2,1-2,4-6H3",C=C1c2c(c(O)c(C)c3ncsc23)OC(C(C)(C)O)CC1OC(=O)C(C)=CC,C21H25NO5S,pos_1_1proton,403.1453439,AONAZOLOPHLZDH,,,,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 2056,3025,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,8.641126036643982 2057,3025,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus laevigata,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,8.641126036643982 2058,3025,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,8.641126036643982 2059,3025,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,8.641126036643982 2060,3025,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,3,8.641126036643982 2061,3025,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,3,8.641126036643982 2062,3025,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,3,8.641126036643982 2063,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 2064,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 2065,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2066,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 2067,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 2068,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2069,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2070,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 2071,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 2072,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 2073,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2074,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 2075,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2076,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2077,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 2078,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 2079,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2080,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2081,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 2082,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 2083,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2084,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 2085,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2086,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 2087,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 2088,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SMFKCIHIAHWGGL-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)C1,C17H20O9,pos_1_1proton1ammonium,368.11073221999993,SMFKCIHIAHWGGL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2089,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 2090,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2091,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 2092,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2093,3024,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SMFKCIHIAHWGGL-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)C1,C17H20O9,pos_1_1proton1ammonium,368.11073221999993,SMFKCIHIAHWGGL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2094,3019,598,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.45883468,ISDB,MUCRYNWJQNHDJH-OADIDDRXSA-N,"InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O3,,454.344695332,MUCRYNWJQNHDJH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Geum aleppicum,77545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum aleppicum'],6,3,9.335338711738586 2095,3019,598,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.45883468,ISDB,MUCRYNWJQNHDJH-OADIDDRXSA-N,"InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O3,,454.344695332,MUCRYNWJQNHDJH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,3,9.335338711738586 2096,3019,598,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.45883468,ISDB,MUCRYNWJQNHDJH-OADIDDRXSA-N,"InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O3,,454.344695332,MUCRYNWJQNHDJH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,3,9.335338711738586 2097,3018,478,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LTOSTBGJHNIWGF-XQUDQRHWSA-N,"InChI=1S/C22H20O12/c23-6-14-16(26)17(27)19(29)22(34-14)32-9-1-2-10-12(5-9)33-20(18(28)15(10)25)8-3-11(24)21-13(4-8)30-7-31-21/h1-5,14,16-17,19,22-24,26-29H,6-7H2/t14-,16-,17+,19-,22-/m1/s1",O=c1c(O)c(-c2cc(O)c3c(c2)OCO3)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,C22H20O12,pos_1_1proton,476.09547608,LTOSTBGJHNIWGF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 2098,3018,478,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LTOSTBGJHNIWGF-XQUDQRHWSA-N,"InChI=1S/C22H20O12/c23-6-14-16(26)17(27)19(29)22(34-14)32-9-1-2-10-12(5-9)33-20(18(28)15(10)25)8-3-11(24)21-13(4-8)30-7-31-21/h1-5,14,16-17,19,22-24,26-29H,6-7H2/t14-,16-,17+,19-,22-/m1/s1",O=c1c(O)c(-c2cc(O)c3c(c2)OCO3)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,C22H20O12,pos_1_1proton,476.09547608,LTOSTBGJHNIWGF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 2099,3017,458,Terpenoids,Monoterpenoids,Irregular monoterpenoids,0.0,MS1_match,LOSPKFCLBIRZGS-DZLLMUEISA-N,"InChI=1S/C14H22O7/c1-8-7-14(9(2)18-5,12(17)19-6)21-11(16)13(8,4)20-10(3)15/h8-9H,7H2,1-6H3/t8-,9+,13+,14-/m0/s1",COC(=O)[C@@]1([C@@H](C)OC)C[C@H](C)[C@@](C)(OC(C)=O)C(=O)O1,C14H22O7,pos_1_1proton1ethylamine,302.136553044,LOSPKFCLBIRZGS,Terpenoids,Monoterpenoids,Irregular monoterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,3,8.5 2100,3017,458,Terpenoids,Monoterpenoids,Irregular monoterpenoids,0.0,MS1_match,LOSPKFCLBIRZGS-UHFFFAOYSA-N,"InChI=1S/C14H22O7/c1-8-7-14(9(2)18-5,12(17)19-6)21-11(16)13(8,4)20-10(3)15/h8-9H,7H2,1-6H3",COC(=O)C1(C(C)OC)CC(C)C(C)(OC(C)=O)C(=O)O1,C14H22O7,pos_1_1proton1ethylamine,302.136553044,LOSPKFCLBIRZGS,Terpenoids,Monoterpenoids,Irregular monoterpenoids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,3,8.5 2101,3016,804,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.0,MS1_match,PLUOSPXAEMKKRW-GVHGUOPMSA-N,"InChI=1S/C21H28O7/c1-6-11(2)18(24)27-16-15-12(3)19(25)28-21(15,26-5)10-13-8-7-9-14(17(22)23)20(13,16)4/h6,13-14,16H,7-10H2,1-5H3,(H,22,23)/b11-6-/t13-,14-,16-,20+,21-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CCC[C@H](C(=O)O)[C@]21C,C21H28O7,pos_2MFe,392.1835032359999,PLUOSPXAEMKKRW,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Scandosorbus intermedia,7637956.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Scandosorbus'],['Scandosorbus intermedia'],6,3,7.5 2102,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 2103,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 2104,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],8,3,9.5 2105,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-UHFFFAOYSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2",O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039999,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 2106,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-UHFFFAOYSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2",O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039999,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 2107,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-HGAFHURDSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18-,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.121296904,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 2108,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-UHFFFAOYSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2",O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039999,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 2109,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-PRRLNRMFSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16-,18-,19+,20-,21-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.121296904,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 2110,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-HGAFHURDSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18-,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.121296904,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2111,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 2112,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 2113,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 2114,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],8,3,9.5 2115,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-UHFFFAOYSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2",O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039999,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 2116,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-HGAFHURDSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18-,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.121296904,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 2117,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-UHFFFAOYSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2",O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039999,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 2118,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-UHFFFAOYSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2",O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039999,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 2119,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-PRRLNRMFSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16-,18-,19+,20-,21-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.121296904,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 2120,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-HGAFHURDSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18-,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.121296904,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2121,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 2122,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 2123,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 2124,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],8,3,9.5 2125,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-UHFFFAOYSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2",O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039999,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 2126,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-UHFFFAOYSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2",O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039999,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 2127,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-HGAFHURDSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18-,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.121296904,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 2128,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-UHFFFAOYSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2",O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039999,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 2129,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-PRRLNRMFSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16-,18-,19+,20-,21-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.121296904,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 2130,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-HGAFHURDSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18-,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.121296904,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2131,3014,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 2132,3011,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 2133,3011,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 2134,3011,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 2135,3009,858,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,WSHSQJSPOLYHLM-YMILTQATSA-N,"InChI=1S/C16H20O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h4-5,11,13-17,19-21H,2-3,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2c(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CC2,C16H20O9,pos_1_1sodium1acetonitrile,356.1107322199999,WSHSQJSPOLYHLM,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 2136,3008,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 2137,3008,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 2138,3005,-1,,,,0.0,MS1_match,PNEKVLUOGHZVKV-YRRKUQMFSA-N,"InChI=1S/C26H28O14/c1-9(28)22-19(33)21(35)26(39-22)40-24-18(32)16-13(30)6-11(29)7-14(16)37-23(24)10-2-4-12(5-3-10)36-25-20(34)17(31)15(8-27)38-25/h2-7,9,15,17,19-22,25-31,33-35H,8H2,1H3/t9-,15-,17-,19-,20+,21+,22-,25+,26-/m0/s1",C[C@H](O)[C@@H]1O[C@@H](Oc2c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1O,C26H28O14,pos_1_1proton,564.147905576,PNEKVLUOGHZVKV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 2139,3004,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,pos_2MCH3CNNa,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 2140,3004,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,pos_2MCH3CNNa,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 2141,3003,392,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1sodium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 2142,3003,392,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1sodium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 2143,3003,392,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 2144,3003,392,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 2145,3003,392,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 2146,3003,392,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 2147,3002,598,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.29760033,ISDB,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,10.690401315689087 2148,3002,598,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.29760033,ISDB,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,10.690401315689087 2149,3001,-1,,,,0.0,MS1_match,ZOJSSXJDOHFOTI-HOCLYGCPSA-N,"InChI=1S/C16H26O3/c1-12(2)6-5-11-16(3,18)14-9-7-13(8-10-14)15(17)19-4/h6-7,14,18H,5,8-11H2,1-4H3/t14-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)CCC=C(C)C)CC1,C16H26O3,pos_2MNa,266.188194692,ZOJSSXJDOHFOTI,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 2150,2999,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8489503,ISDB,UXXAEVMOIUAYQT-UFGFRKJLSA-N,"InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-12(25)6-10(23)7-14(15)32-20(21)9-3-4-11(24)13(5-9)30-2/h3-8,16,18-19,22-26,28-29H,1-2H3/t8-,16-,18+,19+,22-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C22H22O11,,462.1162115239998,UXXAEVMOIUAYQT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,12.895801305770874 2151,2997,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1proton1ammonium,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 2152,2997,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1proton1ammonium,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 2153,2995,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,QPJVMBTYPHYUOC-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3",COC(=O)c1ccccc1,C8H8O2,pos_1_1proton,136.052429496,QPJVMBTYPHYUOC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2154,2992,-1,,,,0.0,MS1_match,NIABBGMPPWXWOJ-UHFFFAOYSA-N,"InChI=1S/C26H28O16/c27-6-13-16(32)18(34)20(36)26(40-13)41-23-17(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-22(14)24(21(23)37)42-25-19(35)15(31)11(30)7-38-25/h1-5,11,13,15-16,18-20,25-28,30-37H,6-7H2",O=c1cc(-c2ccc(O)cc2)oc2c(OC3OCC(O)C(O)C3O)c(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c12,C26H28O16,pos_2_2proton,596.1377348159998,NIABBGMPPWXWOJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 2155,2989,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UUQHKWMIDYRWHH-UHFFFAOYSA-N,"InChI=1S/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3",COC(=O)c1c(C)cc(O)c(C)c1O,C10H12O4,pos_2MH,196.073558864,UUQHKWMIDYRWHH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],6,1,6.5 2156,2989,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PKNANBLYJZQXLC-GJZGRUSLSA-N,"InChI=1S/C17H16O7/c1-22-16-10(19)7-11-12(17(16)23-2)13(20)14(21)15(24-11)8-3-5-9(18)6-4-8/h3-7,14-15,18-19,21H,1-2H3/t14-,15-/m0/s1",COc1c(O)cc2c(c1OC)C(=O)[C@H](O)[C@H](c1ccc(O)cc1)O2,C17H16O7,pos_1_1proton1isopropanol,332.089602852,PKNANBLYJZQXLC,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Adenostoma sparsifolium,833577.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sorbarieae'],['Adenostoma'],['Adenostoma sparsifolium'],6,1,6.5 2157,2989,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KALYBGCOEHEKGT-GJZGRUSLSA-N,"InChI=1S/C17H16O7/c1-22-9-5-3-8(4-6-9)15-14(21)13(20)12-10(18)7-11(19)16(23-2)17(12)24-15/h3-7,14-15,18-19,21H,1-2H3/t14-,15-/m0/s1",COc1ccc([C@@H]2Oc3c(OC)c(O)cc(O)c3C(=O)[C@@H]2O)cc1,C17H16O7,pos_1_1proton1isopropanol,332.089602852,KALYBGCOEHEKGT,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,1,6.5 2158,2989,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MEROIHPPFMVPPD-HOTGVXAUSA-N,"InChI=1S/C17H16O7/c1-22-9-5-3-8(4-6-9)16-15(21)13(19)12-11(24-16)7-10(18)17(23-2)14(12)20/h3-7,15-16,18,20-21H,1-2H3/t15-,16-/m0/s1",COc1ccc([C@@H]2Oc3cc(O)c(OC)c(O)c3C(=O)[C@@H]2O)cc1,C17H16O7,pos_1_1proton1isopropanol,332.089602852,MEROIHPPFMVPPD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,1,6.5 2159,2989,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,TXSZQJXZPKFHBU-PRWVUHPISA-N,"InChI=1S/C19H20O7/c20-13-5-3-11(4-6-13)1-2-12-7-14(21)9-15(8-12)26-19-18(24)17(23)16(22)10-25-19/h1-9,16-24H,10H2/b2-1+/t16-,17+,18-,19+/m1/s1",Oc1ccc(/C=C/c2cc(O)cc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c2)cc1,C19H20O7,pos_1_1proton1methanol,360.12090298,TXSZQJXZPKFHBU,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Holodiscus discolor,782146.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Holodiscus'],['Holodiscus discolor'],6,1,6.5 2160,2988,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HOVAGTYPODGVJG-ZYNSJIGGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m0/s1",CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C7H14O6,pos_1_1proton,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa polliniana,3905012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa hybrid cultivar'],6,3,7.5 2161,2988,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HOVAGTYPODGVJG-XUUWZHRGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1proton,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,3,7.5 2162,2988,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HOVAGTYPODGVJG-XUUWZHRGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1proton,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa hybrida,3905012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa hybrid cultivar'],6,3,7.5 2163,2986,46,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ammonium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 2164,2986,46,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ammonium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 2165,2986,46,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ammonium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 2166,2985,-1,,,,0.0,MS1_match,XEXCLTHHXIWUHO-UHFFFAOYSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C24H22O14,pos_1_1proton,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,0,6.0 2167,2985,-1,,,,0.0,MS1_match,XEXCLTHHXIWUHO-UHFFFAOYSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C24H22O14,pos_1_1proton,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,0,6.0 2168,2984,-1,,,,0.0,MS1_match,LSHVYAFMTMFKBA-TZIWHRDSSA-N,"InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O10,pos_1_1proton1methanol,442.0899967759999,LSHVYAFMTMFKBA,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 2169,2983,-1,,,,0.0,MS1_match,HBOMRMZGLXFXCE-UIJYHZMPSA-N,"InChI=1S/C25H26O14/c1-8(26)20-16(30)18(32)24(37-20)35-11-6-12(28)14-13(7-11)36-21(9-2-4-10(27)5-3-9)22(15(14)29)38-25-19(33)17(31)23(34)39-25/h2-8,16-20,23-28,30-34H,1H3/t8-,16+,17-,18-,19-,20-,23+,24-,25-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O[C@H]4O[C@@H](O)[C@@H](O)[C@@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C25H26O14,pos_1_1proton1methanol,550.132255512,HBOMRMZGLXFXCE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 2170,2980,-1,,,,0.0,MS1_match,MHLHEINWUCSPTL-JTQLQIEISA-N,"InChI=1S/C10H9NO4/c12-8(13)5-10(15)6-3-1-2-4-7(6)11-9(10)14/h1-4,15H,5H2,(H,11,14)(H,12,13)/t10-/m0/s1",O=C(O)C[C@@]1(O)C(=O)Nc2ccccc21,C10H9NO4,pos_1_1proton1isopropanol,207.053157768,MHLHEINWUCSPTL,Alkaloids,Tryptophan alkaloids,Simple oxindole alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 2171,2980,-1,,,,0.0,MS1_match,XOLNCGRLWHWWDJ-JTQLQIEISA-N,"InChI=1S/C10H9NO4/c11-10(9(13)14)5-8(12)15-7-4-2-1-3-6(7)10/h1-4H,5,11H2,(H,13,14)/t10-/m0/s1",N[C@@]1(C(=O)O)CC(=O)Oc2ccccc21,C10H9NO4,pos_1_1proton1isopropanol,207.053157768,XOLNCGRLWHWWDJ,Amino acids and Peptides,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 2172,2980,-1,,,,0.0,MS1_match,XOLNCGRLWHWWDJ-UHFFFAOYSA-N,"InChI=1S/C10H9NO4/c11-10(9(13)14)5-8(12)15-7-4-2-1-3-6(7)10/h1-4H,5,11H2,(H,13,14)",NC1(C(=O)O)CC(=O)Oc2ccccc21,C10H9NO4,pos_1_1proton1isopropanol,207.053157768,XOLNCGRLWHWWDJ,Amino acids and Peptides,,,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,0,8.0 2173,2980,-1,,,,0.0,MS1_match,XOLNCGRLWHWWDJ-UHFFFAOYSA-N,"InChI=1S/C10H9NO4/c11-10(9(13)14)5-8(12)15-7-4-2-1-3-6(7)10/h1-4H,5,11H2,(H,13,14)",NC1(C(=O)O)CC(=O)Oc2ccccc21,C10H9NO4,pos_1_1proton1isopropanol,207.053157768,XOLNCGRLWHWWDJ,Amino acids and Peptides,,,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,0,8.0 2174,2980,-1,,,,0.0,MS1_match,PBPNOAHYDPHKFH-UHFFFAOYSA-N,"InChI=1S/C11H10O5/c1-14-8-5-7-6(3-4-9(12)16-7)11(15-2)10(8)13/h3-5,13H,1-2H3",COc1cc2oc(=O)ccc2c(OC)c1O,C11H10O5,pos_1_1proton1ethylamine,222.05282342,PBPNOAHYDPHKFH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 2175,2976,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton1ethylamine,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 2176,2976,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton1ethylamine,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 2177,2976,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton1ethylamine,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 2178,2976,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton1ethylamine,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 2179,2975,-1,,,,0.0,MS1_match,KYRNFTRJARVVEU-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c1-4-2-6(8)9-5(4)3-7/h2-3,8H,1H3",Cc1cc(O)oc1C=O,C6H6O3,pos_2MHCH3CN,126.031694052,KYRNFTRJARVVEU,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 2180,2975,-1,,,,0.0,MS1_match,NOEGNKMFWQHSLB-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2",O=Cc1ccc(CO)o1,C6H6O3,pos_2MHCH3CN,126.031694052,NOEGNKMFWQHSLB,Polyketides,Cyclic polyketides,Furans,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 2181,2975,-1,,,,0.0,MS1_match,TZEMRDVCZWVBHT-UTTQFQDJSA-N,"InChI=1S/C24H24O12/c25-14-5-1-12(9-16(14)27)3-7-19(29)34-11-18-21(31)22(32)23(33)24(35-18)36-20(30)8-4-13-2-6-15(26)17(28)10-13/h1-10,18,21-28,31-33H,11H2/b7-3+,8-4+/t18-,21-,22+,23-,24+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H24O12,pos_2_2proton2acetonitrile,504.126776208,TZEMRDVCZWVBHT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 2182,2975,-1,,,,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_2MHNH3,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 2183,2975,-1,,,,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_2MHNH3,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 2184,2975,-1,,,,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_2MHNH3,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 2185,2975,-1,,,,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_2MHNH3,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 2186,2973,-1,,,,0.0,MS1_match,UDNVBKBWANAIGZ-PGRDOPGGSA-N,"InChI=1S/C24H32O9/c1-29-19-8-14(5-4-6-25)7-17-18(13-28)22(33-23(17)19)15-9-20(30-2)24(21(10-15)31-3)32-16(11-26)12-27/h7-10,16,18,22,25-28H,4-6,11-13H2,1-3H3/t18-,22+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)cc(OC)c1OC(CO)CO,C24H32O9,pos_2MFe,464.204632604,UDNVBKBWANAIGZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 2187,2973,-1,,,,0.0,MS1_match,UDNVBKBWANAIGZ-PGRDOPGGSA-N,"InChI=1S/C24H32O9/c1-29-19-8-14(5-4-6-25)7-17-18(13-28)22(33-23(17)19)15-9-20(30-2)24(21(10-15)31-3)32-16(11-26)12-27/h7-10,16,18,22,25-28H,4-6,11-13H2,1-3H3/t18-,22+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)cc(OC)c1OC(CO)CO,C24H32O9,pos_2MFe,464.204632604,UDNVBKBWANAIGZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 2188,2973,-1,,,,0.0,MS1_match,UDNVBKBWANAIGZ-PGRDOPGGSA-N,"InChI=1S/C24H32O9/c1-29-19-8-14(5-4-6-25)7-17-18(13-28)22(33-23(17)19)15-9-20(30-2)24(21(10-15)31-3)32-16(11-26)12-27/h7-10,16,18,22,25-28H,4-6,11-13H2,1-3H3/t18-,22+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)cc(OC)c1OC(CO)CO,C24H32O9,pos_2MFe,464.204632604,UDNVBKBWANAIGZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 2189,2973,-1,,,,0.0,MS1_match,UDNVBKBWANAIGZ-PGRDOPGGSA-N,"InChI=1S/C24H32O9/c1-29-19-8-14(5-4-6-25)7-17-18(13-28)22(33-23(17)19)15-9-20(30-2)24(21(10-15)31-3)32-16(11-26)12-27/h7-10,16,18,22,25-28H,4-6,11-13H2,1-3H3/t18-,22+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)cc(OC)c1OC(CO)CO,C24H32O9,pos_2MFe,464.204632604,UDNVBKBWANAIGZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 2190,2973,-1,,,,0.0,MS1_match,UDNVBKBWANAIGZ-PGRDOPGGSA-N,"InChI=1S/C24H32O9/c1-29-19-8-14(5-4-6-25)7-17-18(13-28)22(33-23(17)19)15-9-20(30-2)24(21(10-15)31-3)32-16(11-26)12-27/h7-10,16,18,22,25-28H,4-6,11-13H2,1-3H3/t18-,22+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)cc(OC)c1OC(CO)CO,C24H32O9,pos_2MFe,464.204632604,UDNVBKBWANAIGZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 2191,2973,-1,,,,0.0,MS1_match,UDNVBKBWANAIGZ-PGRDOPGGSA-N,"InChI=1S/C24H32O9/c1-29-19-8-14(5-4-6-25)7-17-18(13-28)22(33-23(17)19)15-9-20(30-2)24(21(10-15)31-3)32-16(11-26)12-27/h7-10,16,18,22,25-28H,4-6,11-13H2,1-3H3/t18-,22+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)cc(OC)c1OC(CO)CO,C24H32O9,pos_2MFe,464.204632604,UDNVBKBWANAIGZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 2192,2972,-1,,,,0.0,MS1_match,CQWWASNOGSDPRL-OVHRRVLLSA-N,"InChI=1S/C11H19NO6/c1-5(2)6(3-12)17-11-10(16)9(15)8(14)7(4-13)18-11/h5-11,13-16H,4H2,1-2H3/t6-,7+,8+,9-,10+,11+/m0/s1",CC(C)[C@H](C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO6,pos_1_1proton1methanol,261.121237328,CQWWASNOGSDPRL,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Oemleria cerasiformis,782147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Oemleria'],['Oemleria cerasiformis'],6,0,6.0 2193,2972,-1,,,,0.0,MS1_match,CQWWASNOGSDPRL-OVHRRVLLSA-N,"InChI=1S/C11H19NO6/c1-5(2)6(3-12)17-11-10(16)9(15)8(14)7(4-13)18-11/h5-11,13-16H,4H2,1-2H3/t6-,7+,8+,9-,10+,11+/m0/s1",CC(C)[C@H](C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO6,pos_1_1proton1methanol,261.121237328,CQWWASNOGSDPRL,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Rhodotypos scandens,156934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Rhodotypos'],['Rhodotypos scandens'],6,0,6.0 2194,2972,-1,,,,0.0,MS1_match,HMHWOCAKHBBOPZ-OVHRRVLLSA-N,"InChI=1S/C11H19NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h6-11,13-16H,2,4-5H2,1H3/t6-,7+,8+,9-,10+,11+/m0/s1",C[C@@H](CC#N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO6,pos_1_1proton1methanol,261.121237328,HMHWOCAKHBBOPZ,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Oemleria cerasiformis,782147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Oemleria'],['Oemleria cerasiformis'],6,0,6.0 2195,2972,-1,,,,0.0,MS1_match,HMHWOCAKHBBOPZ-OVHRRVLLSA-N,"InChI=1S/C11H19NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h6-11,13-16H,2,4-5H2,1H3/t6-,7+,8+,9-,10+,11+/m0/s1",C[C@@H](CC#N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO6,pos_1_1proton1methanol,261.121237328,HMHWOCAKHBBOPZ,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Exochorda giraldii,207985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Exochorda'],['Exochorda giraldii'],6,0,6.0 2196,2972,-1,,,,0.0,MS1_match,HMHWOCAKHBBOPZ-OVHRRVLLSA-N,"InChI=1S/C11H19NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h6-11,13-16H,2,4-5H2,1H3/t6-,7+,8+,9-,10+,11+/m0/s1",C[C@@H](CC#N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO6,pos_1_1proton1methanol,261.121237328,HMHWOCAKHBBOPZ,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Neviusia alabamensis,782153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Neviusia'],['Neviusia alabamensis'],6,0,6.0 2197,2972,-1,,,,0.0,MS1_match,HMHWOCAKHBBOPZ-OVHRRVLLSA-N,"InChI=1S/C11H19NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h6-11,13-16H,2,4-5H2,1H3/t6-,7+,8+,9-,10+,11+/m0/s1",C[C@@H](CC#N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO6,pos_1_1proton1methanol,261.121237328,HMHWOCAKHBBOPZ,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Rhodotypos scandens,156934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Rhodotypos'],['Rhodotypos scandens'],6,0,6.0 2198,2969,217,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,BJEPYKJPYRNKOW-REOHCLBHSA-N,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1",O=C(O)C[C@H](O)C(=O)O,C4H6O5,pos_1_1proton1ethylamine,134.021523292,BJEPYKJPYRNKOW,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2199,2969,217,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,BJEPYKJPYRNKOW-UHFFFAOYSA-N,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)",O=C(O)CC(O)C(=O)O,C4H6O5,pos_1_1proton1ethylamine,134.021523292,BJEPYKJPYRNKOW,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 2200,2968,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7442258,ISDB,NUVBSKCKDOMJSU-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3",CCOC(=O)c1ccc(O)cc1,C9H10O3,,166.06299418,NUVBSKCKDOMJSU,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Crinum asiaticum,34645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Crinum'],['Crinum asiaticum'],4,1,7.476903200149536 2201,2968,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7442258,ISDB,NUVBSKCKDOMJSU-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3",CCOC(=O)c1ccc(O)cc1,C9H10O3,,166.06299418,NUVBSKCKDOMJSU,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Aeschynanthus bracteatus,154188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Gesneriaceae'],['Trichosporeae'],['Aeschynanthus'],['Aeschynanthus bracteatus'],4,1,7.476903200149536 2202,2968,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7442258,ISDB,NUVBSKCKDOMJSU-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3",CCOC(=O)c1ccc(O)cc1,C9H10O3,,166.06299418,NUVBSKCKDOMJSU,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Andrographis paniculata,275698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Andrographideae'],['Andrographis'],['Andrographis paniculata'],4,1,7.476903200149536 2203,2968,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7442258,ISDB,NUVBSKCKDOMJSU-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3",CCOC(=O)c1ccc(O)cc1,C9H10O3,,166.06299418,NUVBSKCKDOMJSU,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Inula salsoloides,123930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Inula'],['Inula salsoloides'],4,1,7.476903200149536 2204,2966,-1,,,,0.0,MS1_match,FPJFPMQEUVMUKU-CDDCGRQRSA-N,"InChI=1S/C26H34O10/c1-12-23(30)24(31)25(32)26(36-12)35-11-17-15(10-27)6-14-8-21(34-3)19(29)9-16(14)22(17)13-4-5-18(28)20(7-13)33-2/h4-5,7-9,12,15,17,22-32H,6,10-11H2,1-3H3/t12-,15-,17-,22-,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ethylamine,506.2151972879998,FPJFPMQEUVMUKU,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2205,2966,-1,,,,0.0,MS1_match,FPJFPMQEUVMUKU-CDDCGRQRSA-N,"InChI=1S/C26H34O10/c1-12-23(30)24(31)25(32)26(36-12)35-11-17-15(10-27)6-14-8-21(34-3)19(29)9-16(14)22(17)13-4-5-18(28)20(7-13)33-2/h4-5,7-9,12,15,17,22-32H,6,10-11H2,1-3H3/t12-,15-,17-,22-,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ethylamine,506.2151972879998,FPJFPMQEUVMUKU,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2206,2966,-1,,,,0.0,MS1_match,AVAZTTIAQSFWRK-JKPLZBKSSA-N,"InChI=1S/C26H34O10/c1-12-23(29)24(30)25(31)26(36-12)35-11-16-19(32-2)8-14-9-21(34-4)18(28)10-15(14)22(16)13-5-6-17(27)20(7-13)33-3/h5-7,9-10,12,16,19,22-31H,8,11H2,1-4H3/t12-,16-,19+,22-,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](OC)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ethylamine,506.215197288,AVAZTTIAQSFWRK,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2207,2966,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ethylamine,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2208,2966,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ethylamine,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2209,2966,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ethylamine,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2210,2966,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ethylamine,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2211,2966,-1,,,,0.0,MS1_match,RLJNIUWDLJTFJV-DZUWHBGLSA-N,"InChI=1S/C26H34O10/c1-13-22(29)23(30)24(31)26(36-13)35-12-17-16(8-14-4-6-18(27)20(9-14)32-2)11-34-25(17)15-5-7-19(28)21(10-15)33-3/h4-7,9-10,13,16-17,22-31H,8,11-12H2,1-3H3/t13-,16+,17+,22-,23+,24+,25-,26+/m0/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ethylamine,506.215197288,RLJNIUWDLJTFJV,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2212,2966,-1,,,,0.0,MS1_match,RLJNIUWDLJTFJV-DZUWHBGLSA-N,"InChI=1S/C26H34O10/c1-13-22(29)23(30)24(31)26(36-13)35-12-17-16(8-14-4-6-18(27)20(9-14)32-2)11-34-25(17)15-5-7-19(28)21(10-15)33-3/h4-7,9-10,13,16-17,22-31H,8,11-12H2,1-3H3/t13-,16+,17+,22-,23+,24+,25-,26+/m0/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ethylamine,506.215197288,RLJNIUWDLJTFJV,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2213,2963,-1,,,,0.0,MS1_match,UDNVBKBWANAIGZ-PGRDOPGGSA-N,"InChI=1S/C24H32O9/c1-29-19-8-14(5-4-6-25)7-17-18(13-28)22(33-23(17)19)15-9-20(30-2)24(21(10-15)31-3)32-16(11-26)12-27/h7-10,16,18,22,25-28H,4-6,11-13H2,1-3H3/t18-,22+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)cc(OC)c1OC(CO)CO,C24H32O9,pos_2MFe,464.204632604,UDNVBKBWANAIGZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 2214,2963,-1,,,,0.0,MS1_match,UDNVBKBWANAIGZ-PGRDOPGGSA-N,"InChI=1S/C24H32O9/c1-29-19-8-14(5-4-6-25)7-17-18(13-28)22(33-23(17)19)15-9-20(30-2)24(21(10-15)31-3)32-16(11-26)12-27/h7-10,16,18,22,25-28H,4-6,11-13H2,1-3H3/t18-,22+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)cc(OC)c1OC(CO)CO,C24H32O9,pos_2MFe,464.204632604,UDNVBKBWANAIGZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 2215,2963,-1,,,,0.0,MS1_match,UDNVBKBWANAIGZ-PGRDOPGGSA-N,"InChI=1S/C24H32O9/c1-29-19-8-14(5-4-6-25)7-17-18(13-28)22(33-23(17)19)15-9-20(30-2)24(21(10-15)31-3)32-16(11-26)12-27/h7-10,16,18,22,25-28H,4-6,11-13H2,1-3H3/t18-,22+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)cc(OC)c1OC(CO)CO,C24H32O9,pos_2MFe,464.204632604,UDNVBKBWANAIGZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 2216,2963,-1,,,,0.0,MS1_match,UDNVBKBWANAIGZ-PGRDOPGGSA-N,"InChI=1S/C24H32O9/c1-29-19-8-14(5-4-6-25)7-17-18(13-28)22(33-23(17)19)15-9-20(30-2)24(21(10-15)31-3)32-16(11-26)12-27/h7-10,16,18,22,25-28H,4-6,11-13H2,1-3H3/t18-,22+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)cc(OC)c1OC(CO)CO,C24H32O9,pos_2MFe,464.204632604,UDNVBKBWANAIGZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 2217,2963,-1,,,,0.0,MS1_match,UDNVBKBWANAIGZ-PGRDOPGGSA-N,"InChI=1S/C24H32O9/c1-29-19-8-14(5-4-6-25)7-17-18(13-28)22(33-23(17)19)15-9-20(30-2)24(21(10-15)31-3)32-16(11-26)12-27/h7-10,16,18,22,25-28H,4-6,11-13H2,1-3H3/t18-,22+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)cc(OC)c1OC(CO)CO,C24H32O9,pos_2MFe,464.204632604,UDNVBKBWANAIGZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 2218,2963,-1,,,,0.0,MS1_match,UDNVBKBWANAIGZ-PGRDOPGGSA-N,"InChI=1S/C24H32O9/c1-29-19-8-14(5-4-6-25)7-17-18(13-28)22(33-23(17)19)15-9-20(30-2)24(21(10-15)31-3)32-16(11-26)12-27/h7-10,16,18,22,25-28H,4-6,11-13H2,1-3H3/t18-,22+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)cc(OC)c1OC(CO)CO,C24H32O9,pos_2MFe,464.204632604,UDNVBKBWANAIGZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 2219,2962,-1,,,,0.0,MS1_match,HGBIXAMNCHZOIR-SUFHHTCNSA-N,"InChI=1S/C26H32O14/c27-9-18-21(34)22(35)24(40-25-23(36)20(33)16(32)10-37-25)26(39-18)38-17-8-13(29)7-15(31)19(17)14(30)6-3-11-1-4-12(28)5-2-11/h1-2,4-5,7-8,16,18,20-29,31-36H,3,6,9-10H2/t16-,18-,20+,21-,22+,23-,24-,25+,26-/m1/s1",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C26H32O14,pos_1_1sodium,568.179205704,HGBIXAMNCHZOIR,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 2220,2962,-1,,,,0.0,MS1_match,ZPVXZDCYCDBKAJ-NCMRLHFPSA-N,"InChI=1S/C26H32O14/c27-9-17-20(33)22(35)24(40-25-23(36)21(34)18(10-28)38-25)26(39-17)37-16-8-13(30)7-15(32)19(16)14(31)6-3-11-1-4-12(29)5-2-11/h1-2,4-5,7-8,17-18,20-30,32-36H,3,6,9-10H2/t17-,18-,20-,21+,22+,23-,24-,25+,26-/m1/s1",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O,C26H32O14,pos_1_1sodium,568.179205704,ZPVXZDCYCDBKAJ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 2221,2962,-1,,,,0.0,MS1_match,ZPVXZDCYCDBKAJ-NCMRLHFPSA-N,"InChI=1S/C26H32O14/c27-9-17-20(33)22(35)24(40-25-23(36)21(34)18(10-28)38-25)26(39-17)37-16-8-13(30)7-15(32)19(16)14(31)6-3-11-1-4-12(29)5-2-11/h1-2,4-5,7-8,17-18,20-30,32-36H,3,6,9-10H2/t17-,18-,20-,21+,22+,23-,24-,25+,26-/m1/s1",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O,C26H32O14,pos_1_1sodium,568.179205704,ZPVXZDCYCDBKAJ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 2222,2961,-1,,,,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 2223,2961,-1,,,,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 2224,2959,856,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,RZLBDMQWYCAIEA-QDWIBDRMSA-N,"InChI=1S/C22H28O7/c1-25-11-5-6-15-7-10-18(20(12-15)27-3)29-21(14-23)22(28-4)16-8-9-17(24)19(13-16)26-2/h5-10,12-13,21-24H,11,14H2,1-4H3/b6-5+/t21-,22-/m1/s1",COC/C=C/c1ccc(O[C@H](CO)[C@H](OC)c2ccc(O)c(OC)c2)c(OC)c1,C22H28O7,pos_1_1proton1ammonium,404.1835032359999,RZLBDMQWYCAIEA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 2225,2959,856,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,RZLBDMQWYCAIEA-QDWIBDRMSA-N,"InChI=1S/C22H28O7/c1-25-11-5-6-15-7-10-18(20(12-15)27-3)29-21(14-23)22(28-4)16-8-9-17(24)19(13-16)26-2/h5-10,12-13,21-24H,11,14H2,1-4H3/b6-5+/t21-,22-/m1/s1",COC/C=C/c1ccc(O[C@H](CO)[C@H](OC)c2ccc(O)c(OC)c2)c(OC)c1,C22H28O7,pos_1_1proton1ammonium,404.1835032359999,RZLBDMQWYCAIEA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 2226,2957,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 2227,2956,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.53729826,ISDB,WIIDBJNWXCWLKF-KMEFBPKPSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14-/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,8.149193048477173 2228,2956,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.53729826,ISDB,WIIDBJNWXCWLKF-KMEFBPKPSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14-/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,8.149193048477173 2229,2955,1,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.21172385,ISDB,NHAIWTJLRMSZKP-LEDSTXDGSA-N,"InChI=1S/C24H20O8/c25-13-4-1-11(2-5-13)14-9-21(30)31-20-10-17(27)15-8-19(29)23(32-24(15)22(14)20)12-3-6-16(26)18(28)7-12/h1-7,10,14,19,23,25-29H,8-9H2/t14-,19+,23+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)c2c(cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1,C24H20O8,,436.1158176,NHAIWTJLRMSZKP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ocotea porosa,5919678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea porosa'],4,3,6.346895396709442 2230,2954,-1,,,,0.0,MS1_match,ZCNREQTVGGXJTO-YEEDDRBPSA-N,"InChI=1S/C18H32O10/c1-3-4-5-6-7-25-17-16(24)14(22)12(20)10(28-17)8-26-18-15(23)13(21)11(19)9(2)27-18/h4-5,9-24H,3,6-8H2,1-2H3/t9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1",CCC=CCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H32O10,pos_1_1proton1ethylamine,408.199547224,ZCNREQTVGGXJTO,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 2231,2953,-1,,,,0.0,MS1_match,KSNLTHGWURXRJK-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-10(18)8(3)4-11(9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C(C)C)cc1O,C16H24O7,pos_1_1proton1ammonium,328.152203108,KSNLTHGWURXRJK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 2232,2953,-1,,,,0.0,MS1_match,KSNLTHGWURXRJK-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-10(18)8(3)4-11(9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C(C)C)cc1O,C16H24O7,pos_1_1proton1ammonium,328.152203108,KSNLTHGWURXRJK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 2233,2953,-1,,,,0.0,MS1_match,XFPSRAYOBUHKRV-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O7,pos_1_1proton1ammonium,328.152203108,XFPSRAYOBUHKRV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 2234,2953,-1,,,,0.0,MS1_match,XFPSRAYOBUHKRV-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O7,pos_1_1proton1ammonium,328.152203108,XFPSRAYOBUHKRV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 2235,2951,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VSUOKLTVXQRUSG-UHFFFAOYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)",O=C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O,C21H18O12,pos_3_3proton,462.079826016,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,1,8.5 2236,2951,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Potentilla wallichiana,759832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla atrosanguinea'],8,1,8.5 2237,2951,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VSUOKLTVXQRUSG-UHFFFAOYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)",O=C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O,C21H18O12,pos_3_3proton,462.079826016,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,1,8.5 2238,2950,-1,,,,0.0,MS1_match,PXUQTDZNOHRWLI-OXUVVOBNSA-O,"InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C23H25O12+,pos_1_1sodium,493.1340526600898,PXUQTDZNOHRWLI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 2239,2950,-1,,,,0.0,MS1_match,IHWHGPUDYPIVLL-BFMJJVGDSA-N,"InChI=1S/C20H28O13/c21-6-9-11(22)13(24)15(26)19(31-9)30-7-10-12(23)14(25)16(27)20(32-10)33-17(18(28)29)8-4-2-1-3-5-8/h1-5,9-17,19-27H,6-7H2,(H,28,29)/t9-,10-,11-,12-,13+,14+,15-,16-,17-,19-,20+/m1/s1",O=C(O)[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H28O13,pos_1_1potassium,476.152990956,IHWHGPUDYPIVLL,,,,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 2240,2950,-1,,,,0.0,MS1_match,IHWHGPUDYPIVLL-BFMJJVGDSA-N,"InChI=1S/C20H28O13/c21-6-9-11(22)13(24)15(26)19(31-9)30-7-10-12(23)14(25)16(27)20(32-10)33-17(18(28)29)8-4-2-1-3-5-8/h1-5,9-17,19-27H,6-7H2,(H,28,29)/t9-,10-,11-,12-,13+,14+,15-,16-,17-,19-,20+/m1/s1",O=C(O)[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H28O13,pos_1_1potassium,476.152990956,IHWHGPUDYPIVLL,,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 2241,2949,-1,,,,0.0,MS1_match,KZMACGJDUUWFCH-UHFFFAOYSA-O,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(OC)c1O,C17H15O7+,pos_1_1proton,331.08122924008995,KZMACGJDUUWFCH,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 2242,2949,-1,,,,0.0,MS1_match,AFEOHOFUAGTTRM-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-16-10(19)7-11-12(17(16)23-2)13(20)14(21)15(24-11)8-3-5-9(18)6-4-8/h3-7,18-19,21H,1-2H3",COc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1OC,C17H14O7,pos_1_1proton,330.073952788,AFEOHOFUAGTTRM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Adenostoma sparsifolium,833577.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sorbarieae'],['Adenostoma'],['Adenostoma sparsifolium'],6,0,6.0 2243,2949,-1,,,,0.0,MS1_match,IODGQWWTJYDCLN-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-16-13(20)12-10(19)7-11(8-3-5-9(18)6-4-8)24-15(12)14(21)17(16)23-2/h3-7,18,20-21H,1-2H3",COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1O,C17H14O7,pos_1_1proton,330.073952788,IODGQWWTJYDCLN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,0,6.0 2244,2949,-1,,,,0.0,MS1_match,MYMGKIQXYXSRIJ-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-10(18)12(5-8)23-2/h3-7,18-19,21H,1-2H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(OC)c3)oc2c1,C17H14O7,pos_1_1proton,330.073952788,MYMGKIQXYXSRIJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Spiraea brahuica,5527789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea brahuica'],6,0,6.0 2245,2949,-1,,,,0.0,MS1_match,AOFQCVDYMNHCKD-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-12-6-9(18)7-13-14(12)15(21)17(23-2)16(24-13)8-3-4-10(19)11(20)5-8/h3-7,18-20H,1-2H3",COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(OC)c2c1=O,C17H14O7,pos_1_1proton,330.073952788,AOFQCVDYMNHCKD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus phoenicolasius,96561.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus phoenicolasius'],6,0,6.0 2246,2949,-1,,,,0.0,MS1_match,HLSIOUXODPWHFI-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-5-3-8(4-6-9)15-14(21)13(20)12-10(18)7-11(19)16(23-2)17(12)24-15/h3-7,18-19,21H,1-2H3",COc1ccc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)cc1,C17H14O7,pos_1_1proton,330.073952788,HLSIOUXODPWHFI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 2247,2948,270,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,LIEIOJNANXUNDT-UHFFFAOYSA-N,"InChI=1S/C21H27NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,11,13,17H,1,8-10,12H2,2-5H3",C=CC1=CC(C)C(C)(OC(C)=O)C(=O)OCC2=CCN(C)CCC(OC1=O)C2=O,C21H27NO7,pos_2MFe,405.178752204,LIEIOJNANXUNDT,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,3,7.5 2248,2948,270,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,LIEIOJNANXUNDT-WIOQBUNOSA-N,"InChI=1S/C21H27NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,11,13,17H,1,8-10,12H2,2-5H3/b15-11-,16-7-/t13-,17-,21+/m1/s1",C=C/C1=C/[C@@H](C)[C@](C)(OC(C)=O)C(=O)OC/C2=C/CN(C)CC[C@@H](OC1=O)C2=O,C21H27NO7,pos_2MFe,405.178752204,LIEIOJNANXUNDT,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,3,7.5 2249,2948,270,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,LIEIOJNANXUNDT-WIOQBUNOSA-N,"InChI=1S/C21H27NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,11,13,17H,1,8-10,12H2,2-5H3/b15-11-,16-7-/t13-,17-,21+/m1/s1",C=C/C1=C/[C@@H](C)[C@](C)(OC(C)=O)C(=O)OC/C2=C/CN(C)CC[C@@H](OC1=O)C2=O,C21H27NO7,pos_2MFe,405.178752204,LIEIOJNANXUNDT,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],6,3,7.5 2250,2944,471,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 2251,2944,471,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 2252,2944,471,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 2253,2944,471,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 2254,2944,471,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 2255,2944,471,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 2256,2941,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],7,1,7.5 2257,2941,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Cotoneaster simonsii,3903153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster simonsii'],7,1,7.5 2258,2941,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],7,1,7.5 2259,2941,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1proton1ethylamine,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,1,7.5 2260,2941,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1proton1ethylamine,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],7,1,7.5 2261,2941,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],7,1,7.5 2262,2941,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Cotoneaster simonsii,3903153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster simonsii'],7,1,7.5 2263,2941,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],7,1,7.5 2264,2941,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1proton1ethylamine,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,1,7.5 2265,2941,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1proton1ethylamine,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],7,1,7.5 2266,2935,-1,,,,0.0,MS1_match,NIABBGMPPWXWOJ-UHFFFAOYSA-N,"InChI=1S/C26H28O16/c27-6-13-16(32)18(34)20(36)26(40-13)41-23-17(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-22(14)24(21(23)37)42-25-19(35)15(31)11(30)7-38-25/h1-5,11,13,15-16,18-20,25-28,30-37H,6-7H2",O=c1cc(-c2ccc(O)cc2)oc2c(OC3OCC(O)C(O)C3O)c(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c12,C26H28O16,pos_2_2sodium,596.1377348159998,NIABBGMPPWXWOJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 2267,2933,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.46997315,ISDB,VMYXUZSZMNBRCN-AWEZNQCLSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m0/s1",CC(C)=CCC[C@H](C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],5,3,8.379892587661743 2268,2933,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.46997315,ISDB,VMYXUZSZMNBRCN-CQSZACIVSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1",CC(C)=CCC[C@@H](C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],5,3,8.379892587661743 2269,2931,125,Shikimates and Phenylpropanoids,Sesquiterpenoids,Disaccharides,0.0,MS1_match,HOVAGTYPODGVJG-XUUWZHRGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1sodium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,3,7.5 2270,2931,125,Shikimates and Phenylpropanoids,Sesquiterpenoids,Disaccharides,0.0,MS1_match,HOVAGTYPODGVJG-XUUWZHRGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1sodium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa hybrida,3905012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa hybrid cultivar'],6,3,7.5 2271,2931,125,Shikimates and Phenylpropanoids,Sesquiterpenoids,Disaccharides,0.0,MS1_match,HOVAGTYPODGVJG-ZYNSJIGGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m0/s1",CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C7H14O6,pos_1_1sodium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa polliniana,3905012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa hybrid cultivar'],6,3,7.5 2272,2929,751,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 2273,2929,751,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 2274,2928,37,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,PKWCARAECWHBCL-YMTXFHFDSA-N,"InChI=1S/C22H24O9/c1-28-12-7-15-18(13(24)9-14(29-15)11-5-3-2-4-6-11)16(8-12)30-22-21(27)20(26)19(25)17(10-23)31-22/h2-8,14,17,19-23,25-27H,9-10H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccccc1)CC2=O,C22H24O9,pos_1_1sodium,432.142032348,PKWCARAECWHBCL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,3,7.5 2275,2928,37,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,PKWCARAECWHBCL-YMTXFHFDSA-N,"InChI=1S/C22H24O9/c1-28-12-7-15-18(13(24)9-14(29-15)11-5-3-2-4-6-11)16(8-12)30-22-21(27)20(26)19(25)17(10-23)31-22/h2-8,14,17,19-23,25-27H,9-10H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccccc1)CC2=O,C22H24O9,pos_1_1sodium,432.142032348,PKWCARAECWHBCL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,3,7.5 2276,2927,-1,,,,0.0,MS1_match,XSSDYIMYZONMBL-UHFFFAOYSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)",O=C(O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,C13H16O8,pos_1_1proton1acetonitrile,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 2277,2924,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.2268779,ISDB,ADRWLHSYJFKXIN-UHFFFAOYSA-N,"InChI=1S/C25H32O9/c1-15(26)33-19(8-5-17-7-10-21(28)23(12-17)31-3)14-20(34-16(2)27)9-6-18-11-22(29)25(30)24(13-18)32-4/h7,10-13,19-20,28-30H,5-6,8-9,14H2,1-4H3",COc1cc(CCC(CC(CCc2cc(O)c(O)c(OC)c2)OC(C)=O)OC(C)=O)ccc1O,C25H32O9,,476.204632604,ADRWLHSYJFKXIN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],4,1,5.407511591911316 2278,2922,908,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,XLPDVYGDNRIQFV-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3",Cc1ccc(C(C)(C)O)cc1,C10H14O,pos_2MH,150.104465068,XLPDVYGDNRIQFV,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 2279,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 2280,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,3,7.5 2281,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 2282,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 2283,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,3,7.5 2284,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 2285,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 2286,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 2287,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 2288,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,3,7.5 2289,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,3,7.5 2290,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 2291,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 2292,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,3,7.5 2293,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 2294,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 2295,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 2296,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 2297,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 2298,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 2299,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,3,7.5 2300,2921,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 2301,2920,381,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,AKCWKACKPGSALW-MJLBXUHQSA-N,"InChI=1S/C20H34O4/c1-7-20(6,23)13-9-12-17(11-8-10-16(2)3)15-24-18(21)14-19(4,5)22/h7,10,12,22-23H,1,8-9,11,13-15H2,2-6H3/b17-12-/t20-/m1/s1",C=C[C@@](C)(O)CC/C=C(/CCC=C(C)C)COC(=O)CC(C)(C)O,C20H34O4,pos_1_1proton1acetonitrile,338.245709568,AKCWKACKPGSALW,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,3,8.5 2302,2919,-1,,,,0.0,MS1_match,ICLSCTGXDNHPKU-UHFFFAOYSA-N,"InChI=1S/C26H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(28)30-24-20-19-23(22-27)21-25(24)29-2/h7-8,10-11,19-22H,3-6,9,12-18H2,1-2H3",CCCCCC=CCC=CCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C26H38O4,pos_1_minus1proton1iron,414.277009696,ICLSCTGXDNHPKU,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 2303,2919,-1,,,,0.0,MS1_match,ICLSCTGXDNHPKU-UHFFFAOYSA-N,"InChI=1S/C26H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(28)30-24-20-19-23(22-27)21-25(24)29-2/h7-8,10-11,19-22H,3-6,9,12-18H2,1-2H3",CCCCCC=CCC=CCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C26H38O4,pos_1_minus1proton1iron,414.277009696,ICLSCTGXDNHPKU,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2304,2917,-1,,,,0.0,MS1_match,SCMBTGLLYCNHPV-GSRPHVBRSA-N,"InChI=1S/C29H34O17/c1-9-17(33)20(36)22(38)28(43-9)42-8-15-18(34)21(37)23(39)29(44-15)46-27-19(35)16-12(31)7-13(32)25(41-3)26(16)45-24(27)10-4-5-11(30)14(6-10)40-2/h4-7,9,15,17-18,20-23,28-34,36-39H,8H2,1-3H3/t9-,15+,17-,18+,20+,21-,22+,23+,28+,29-/m0/s1",COc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C29H34O17,pos_1_1sodium,654.179599628,SCMBTGLLYCNHPV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],6,0,6.0 2305,2914,-1,,,,0.0,MS1_match,XEXCLTHHXIWUHO-UHFFFAOYSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C24H22O14,pos_1_1proton1ethylamine,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,0,6.0 2306,2914,-1,,,,0.0,MS1_match,XEXCLTHHXIWUHO-UHFFFAOYSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C24H22O14,pos_1_1proton1ethylamine,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,0,6.0 2307,2913,-1,,,,0.28638646,ISDB,MATGKVZWFZHCLI-LSDHHAIUSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,,358.14163842399995,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,10.145545840263367 2308,2912,-1,,,,0.0,MS1_match,PXUQTDZNOHRWLI-OXUVVOBNSA-O,"InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C23H25O12+,pos_1_1proton,493.1340526600898,PXUQTDZNOHRWLI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 2309,2911,-1,,,,0.0,MS1_match,FPJFPMQEUVMUKU-CDDCGRQRSA-N,"InChI=1S/C26H34O10/c1-12-23(30)24(31)25(32)26(36-12)35-11-17-15(10-27)6-14-8-21(34-3)19(29)9-16(14)22(17)13-4-5-18(28)20(7-13)33-2/h4-5,7-9,12,15,17,22-32H,6,10-11H2,1-3H3/t12-,15-,17-,22-,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1sodium,506.2151972879998,FPJFPMQEUVMUKU,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2310,2911,-1,,,,0.0,MS1_match,FPJFPMQEUVMUKU-CDDCGRQRSA-N,"InChI=1S/C26H34O10/c1-12-23(30)24(31)25(32)26(36-12)35-11-17-15(10-27)6-14-8-21(34-3)19(29)9-16(14)22(17)13-4-5-18(28)20(7-13)33-2/h4-5,7-9,12,15,17,22-32H,6,10-11H2,1-3H3/t12-,15-,17-,22-,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1sodium,506.2151972879998,FPJFPMQEUVMUKU,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2311,2911,-1,,,,0.0,MS1_match,AVAZTTIAQSFWRK-JKPLZBKSSA-N,"InChI=1S/C26H34O10/c1-12-23(29)24(30)25(31)26(36-12)35-11-16-19(32-2)8-14-9-21(34-4)18(28)10-15(14)22(16)13-5-6-17(27)20(7-13)33-3/h5-7,9-10,12,16,19,22-31H,8,11H2,1-4H3/t12-,16-,19+,22-,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](OC)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1sodium,506.215197288,AVAZTTIAQSFWRK,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2312,2911,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1sodium,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2313,2911,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1sodium,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2314,2911,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1sodium,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2315,2911,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1sodium,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2316,2911,-1,,,,0.0,MS1_match,RLJNIUWDLJTFJV-DZUWHBGLSA-N,"InChI=1S/C26H34O10/c1-13-22(29)23(30)24(31)26(36-13)35-12-17-16(8-14-4-6-18(27)20(9-14)32-2)11-34-25(17)15-5-7-19(28)21(10-15)33-3/h4-7,9-10,13,16-17,22-31H,8,11-12H2,1-3H3/t13-,16+,17+,22-,23+,24+,25-,26+/m0/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1sodium,506.215197288,RLJNIUWDLJTFJV,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2317,2911,-1,,,,0.0,MS1_match,RLJNIUWDLJTFJV-DZUWHBGLSA-N,"InChI=1S/C26H34O10/c1-13-22(29)23(30)24(31)26(36-13)35-12-17-16(8-14-4-6-18(27)20(9-14)32-2)11-34-25(17)15-5-7-19(28)21(10-15)33-3/h4-7,9-10,13,16-17,22-31H,8,11-12H2,1-3H3/t13-,16+,17+,22-,23+,24+,25-,26+/m0/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1sodium,506.215197288,RLJNIUWDLJTFJV,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2318,2910,226,Terpenoids,Sesquiterpenoids,Fatty acyl glycosides of mono- and disaccharides,0.0,MS1_match,NVTNXPADRDASMP-PEXIWSMMSA-N,"InChI=1S/C17H30O10/c1-2-3-4-5-6-24-17-15(23)13(21)12(20)10(27-17)8-26-16-14(22)11(19)9(18)7-25-16/h3-4,9-23H,2,5-8H2,1H3/b4-3-/t9-,10-,11+,12-,13+,14-,15-,16+,17-/m1/s1",CC/C=C\CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C17H30O10,pos_1_1proton1ammonium,394.18389716,NVTNXPADRDASMP,,,,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 2319,2908,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FBSFWRHWHYMIOG-UHFFFAOYSA-N,"InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3",COC(=O)c1cc(O)c(O)c(O)c1,C8H8O5,pos_2MHNH3,184.037173356,FBSFWRHWHYMIOG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,1,8.5 2320,2908,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FBSFWRHWHYMIOG-UHFFFAOYSA-N,"InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3",COC(=O)c1cc(O)c(O)c(O)c1,C8H8O5,pos_2MHNH3,184.037173356,FBSFWRHWHYMIOG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,1,8.5 2321,2907,-1,,,,0.0,MS1_match,FPJFPMQEUVMUKU-CDDCGRQRSA-N,"InChI=1S/C26H34O10/c1-12-23(30)24(31)25(32)26(36-12)35-11-17-15(10-27)6-14-8-21(34-3)19(29)9-16(14)22(17)13-4-5-18(28)20(7-13)33-2/h4-5,7-9,12,15,17,22-32H,6,10-11H2,1-3H3/t12-,15-,17-,22-,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ammonium,506.2151972879998,FPJFPMQEUVMUKU,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2322,2907,-1,,,,0.0,MS1_match,FPJFPMQEUVMUKU-CDDCGRQRSA-N,"InChI=1S/C26H34O10/c1-12-23(30)24(31)25(32)26(36-12)35-11-17-15(10-27)6-14-8-21(34-3)19(29)9-16(14)22(17)13-4-5-18(28)20(7-13)33-2/h4-5,7-9,12,15,17,22-32H,6,10-11H2,1-3H3/t12-,15-,17-,22-,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ammonium,506.2151972879998,FPJFPMQEUVMUKU,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2323,2907,-1,,,,0.0,MS1_match,AVAZTTIAQSFWRK-JKPLZBKSSA-N,"InChI=1S/C26H34O10/c1-12-23(29)24(30)25(31)26(36-12)35-11-16-19(32-2)8-14-9-21(34-4)18(28)10-15(14)22(16)13-5-6-17(27)20(7-13)33-3/h5-7,9-10,12,16,19,22-31H,8,11H2,1-4H3/t12-,16-,19+,22-,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](OC)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ammonium,506.215197288,AVAZTTIAQSFWRK,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2324,2907,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ammonium,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2325,2907,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ammonium,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2326,2907,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ammonium,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2327,2907,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ammonium,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2328,2907,-1,,,,0.0,MS1_match,RLJNIUWDLJTFJV-DZUWHBGLSA-N,"InChI=1S/C26H34O10/c1-13-22(29)23(30)24(31)26(36-13)35-12-17-16(8-14-4-6-18(27)20(9-14)32-2)11-34-25(17)15-5-7-19(28)21(10-15)33-3/h4-7,9-10,13,16-17,22-31H,8,11-12H2,1-3H3/t13-,16+,17+,22-,23+,24+,25-,26+/m0/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ammonium,506.215197288,RLJNIUWDLJTFJV,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2329,2907,-1,,,,0.0,MS1_match,RLJNIUWDLJTFJV-DZUWHBGLSA-N,"InChI=1S/C26H34O10/c1-13-22(29)23(30)24(31)26(36-13)35-12-17-16(8-14-4-6-18(27)20(9-14)32-2)11-34-25(17)15-5-7-19(28)21(10-15)33-3/h4-7,9-10,13,16-17,22-31H,8,11-12H2,1-3H3/t13-,16+,17+,22-,23+,24+,25-,26+/m0/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ammonium,506.215197288,RLJNIUWDLJTFJV,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2330,2905,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,ZCNREQTVGGXJTO-YEEDDRBPSA-N,"InChI=1S/C18H32O10/c1-3-4-5-6-7-25-17-16(24)14(22)12(20)10(28-17)8-26-18-15(23)13(21)11(19)9(2)27-18/h4-5,9-24H,3,6-8H2,1-2H3/t9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1",CCC=CCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H32O10,pos_1_1proton1ethylamine,408.199547224,ZCNREQTVGGXJTO,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 2331,2903,-1,,,,0.0,MS1_match,GISLTXAYUBNOMV-OAHLLOKOSA-N,"InChI=1S/C15H20O/c1-11(2)13-7-9-15(3)8-6-12(10-16)4-5-14(13)15/h6,10H,1,4-5,7-9H2,2-3H3/t15-/m1/s1",C=C(C)C1=C2CCC(C=O)=CC[C@]2(C)CC1,C15H20O,pos_1_minus1proton1iron,216.15141526,GISLTXAYUBNOMV,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 2332,2902,-1,,,,0.0,MS1_match,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,pos_2MNa,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 2333,2902,-1,,,,0.0,MS1_match,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,pos_2MNa,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2334,2902,-1,,,,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_2MNa,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 2335,2902,-1,,,,0.0,MS1_match,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_2MNa,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 2336,2902,-1,,,,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_2MNa,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 2337,2902,-1,,,,0.0,MS1_match,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_2MNa,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 2338,2902,-1,,,,0.0,MS1_match,QPBOUUUYBCDTKI-UNLFBOIASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h6-7,11,14-18,20,22-24H,5,8-9H2,1-4H3/b13-6-/t11?,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)/C1=C\CC(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_2MNa,370.1991533,QPBOUUUYBCDTKI,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 2339,2902,-1,,,,0.0,MS1_match,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,pos_2MNa,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 2340,2902,-1,,,,0.0,MS1_match,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,pos_2MNa,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 2341,2901,-1,,,,0.0,MS1_match,FPJFPMQEUVMUKU-CDDCGRQRSA-N,"InChI=1S/C26H34O10/c1-12-23(30)24(31)25(32)26(36-12)35-11-17-15(10-27)6-14-8-21(34-3)19(29)9-16(14)22(17)13-4-5-18(28)20(7-13)33-2/h4-5,7-9,12,15,17,22-32H,6,10-11H2,1-3H3/t12-,15-,17-,22-,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1sodium,506.2151972879998,FPJFPMQEUVMUKU,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2342,2901,-1,,,,0.0,MS1_match,FPJFPMQEUVMUKU-CDDCGRQRSA-N,"InChI=1S/C26H34O10/c1-12-23(30)24(31)25(32)26(36-12)35-11-17-15(10-27)6-14-8-21(34-3)19(29)9-16(14)22(17)13-4-5-18(28)20(7-13)33-2/h4-5,7-9,12,15,17,22-32H,6,10-11H2,1-3H3/t12-,15-,17-,22-,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1sodium,506.2151972879998,FPJFPMQEUVMUKU,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2343,2901,-1,,,,0.0,MS1_match,AVAZTTIAQSFWRK-JKPLZBKSSA-N,"InChI=1S/C26H34O10/c1-12-23(29)24(30)25(31)26(36-12)35-11-16-19(32-2)8-14-9-21(34-4)18(28)10-15(14)22(16)13-5-6-17(27)20(7-13)33-3/h5-7,9-10,12,16,19,22-31H,8,11H2,1-4H3/t12-,16-,19+,22-,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](OC)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1sodium,506.215197288,AVAZTTIAQSFWRK,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2344,2901,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1sodium,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2345,2901,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1sodium,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2346,2901,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1sodium,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2347,2901,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1sodium,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2348,2901,-1,,,,0.0,MS1_match,RLJNIUWDLJTFJV-DZUWHBGLSA-N,"InChI=1S/C26H34O10/c1-13-22(29)23(30)24(31)26(36-13)35-12-17-16(8-14-4-6-18(27)20(9-14)32-2)11-34-25(17)15-5-7-19(28)21(10-15)33-3/h4-7,9-10,13,16-17,22-31H,8,11-12H2,1-3H3/t13-,16+,17+,22-,23+,24+,25-,26+/m0/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1sodium,506.215197288,RLJNIUWDLJTFJV,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2349,2901,-1,,,,0.0,MS1_match,RLJNIUWDLJTFJV-DZUWHBGLSA-N,"InChI=1S/C26H34O10/c1-13-22(29)23(30)24(31)26(36-13)35-12-17-16(8-14-4-6-18(27)20(9-14)32-2)11-34-25(17)15-5-7-19(28)21(10-15)33-3/h4-7,9-10,13,16-17,22-31H,8,11-12H2,1-3H3/t13-,16+,17+,22-,23+,24+,25-,26+/m0/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1sodium,506.215197288,RLJNIUWDLJTFJV,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2350,2900,522,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.29885477,ISDB,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,11.695419073104858 2351,2899,-1,,,,0.0,MS1_match,CJGRGYBLAHPYOM-LNVOCJLCSA-N,"InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6-/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C\c1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O7,pos_1_1sodium,310.105252916,CJGRGYBLAHPYOM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea thunbergii,882955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea thunbergii'],6,0,6.0 2352,2899,-1,,,,0.0,MS1_match,CJGRGYBLAHPYOM-LNVOCJLCSA-N,"InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6-/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C\c1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O7,pos_1_1sodium,310.105252916,CJGRGYBLAHPYOM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea thunbergii,882955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea thunbergii'],6,0,6.0 2353,2899,-1,,,,0.0,MS1_match,FMMQFGNJOTXLGF-QMIVOQANSA-N,"InChI=1S/C15H18O7/c16-7-11-12(19)13(20)14(21)15(22-11)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11-17,19-21H,7H2/t11-,12-,13+,14-,15+/m1/s1",O=C(C=Cc1ccc(O)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O7,pos_1_1sodium,310.105252916,FMMQFGNJOTXLGF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 2354,2899,-1,,,,0.0,MS1_match,FMMQFGNJOTXLGF-QMIVOQANSA-N,"InChI=1S/C15H18O7/c16-7-11-12(19)13(20)14(21)15(22-11)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11-17,19-21H,7H2/t11-,12-,13+,14-,15+/m1/s1",O=C(C=Cc1ccc(O)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O7,pos_1_1sodium,310.105252916,FMMQFGNJOTXLGF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 2355,2899,-1,,,,0.0,MS1_match,CFFMLEQRNNOHLH-HOLMNUNMSA-N,"InChI=1S/C15H18O7/c16-11(7-6-9-4-2-1-3-5-9)21-8-10-12(17)13(18)14(19)15(20)22-10/h1-7,10,12-15,17-20H,8H2/b7-6+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccccc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O7,pos_1_1sodium,310.105252916,CFFMLEQRNNOHLH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea canescens,832446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea canescens'],6,0,6.0 2356,2898,-1,,,,0.0,MS1_match,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,pos_1_1sodium,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,0,6.0 2357,2898,-1,,,,0.0,MS1_match,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,pos_1_1sodium,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,0,6.0 2358,2898,-1,,,,0.0,MS1_match,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,pos_1_1sodium,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus glaucus,896757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus glaucus'],6,0,6.0 2359,2898,-1,,,,0.0,MS1_match,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,pos_1_1sodium,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,0,6.0 2360,2898,-1,,,,0.0,MS1_match,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,pos_1_1sodium,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,0,6.0 2361,2898,-1,,,,0.0,MS1_match,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,pos_1_1sodium,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus glaucus,896757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus glaucus'],6,0,6.0 2362,2894,193,Shikimates and Phenylpropanoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,OYRNAQRKPVOICQ-JKNURMDQSA-N,"InChI=1S/C18H30O10/c1-4-25-11(12-16(28-17(12)24)9(20)5-8(2)3)7-26-18-15(23)14(22)13(21)10(6-19)27-18/h5,9-16,18-23H,4,6-7H2,1-3H3/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",CCO[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C,C18H30O10,pos_1_1proton1acetonitrile,406.1838971599999,OYRNAQRKPVOICQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,3,7.5 2363,2894,193,Shikimates and Phenylpropanoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,OYRNAQRKPVOICQ-JKNURMDQSA-N,"InChI=1S/C18H30O10/c1-4-25-11(12-16(28-17(12)24)9(20)5-8(2)3)7-26-18-15(23)14(22)13(21)10(6-19)27-18/h5,9-16,18-23H,4,6-7H2,1-3H3/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",CCO[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C,C18H30O10,pos_1_1proton1acetonitrile,406.1838971599999,OYRNAQRKPVOICQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,3,7.5 2364,2889,-1,,,,0.0,MS1_match,PJOFVVRGQAIWEF-KRWVDWDSSA-N,"InChI=1S/C20H26O8/c1-13(12-27-16(22)8-7-14-5-3-2-4-6-14)9-10-26-20-19(25)18(24)17(23)15(11-21)28-20/h2-8,15,17-21,23-25H,1,9-12H2/b8-7+/t15-,17-,18+,19-,20-/m1/s1",C=C(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)COC(=O)/C=C/c1ccccc1,C20H26O8,pos_1_1proton1ethylamine,394.162767792,PJOFVVRGQAIWEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea canescens,832446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea canescens'],6,0,6.0 2365,2889,-1,,,,0.0,MS1_match,UWQYFRLKACSGMZ-KRWVDWDSSA-N,"InChI=1S/C20H26O8/c1-13(11-21)9-10-26-20-19(25)18(24)17(23)15(28-20)12-27-16(22)8-7-14-5-3-2-4-6-14/h2-8,15,17-21,23-25H,1,9-12H2/b8-7+/t15-,17-,18+,19-,20-/m1/s1",C=C(CO)CCO[C@@H]1O[C@H](COC(=O)/C=C/c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O,C20H26O8,pos_1_1proton1ethylamine,394.162767792,UWQYFRLKACSGMZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea canescens,832446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea canescens'],6,0,6.0 2366,2889,-1,,,,0.0,MS1_match,SQONGCXFEFFQKS-MOPGFXCFSA-N,"InChI=1S/C20H26O8/c1-26-16-10-13(5-6-14(16)23)19(25)18(11-22)28-20-15(24)8-12(4-3-7-21)9-17(20)27-2/h5-6,8-10,18-19,21-25H,3-4,7,11H2,1-2H3/t18-,19+/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2c(O)cc(CCCO)cc2OC)ccc1O,C20H26O8,pos_1_1proton1ethylamine,394.162767792,SQONGCXFEFFQKS,Shikimates and Phenylpropanoids,Lignans,Neolignans,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 2367,2889,-1,,,,0.0,MS1_match,ZOIAVVNLMDKOIV-UHFFFAOYSA-N,"InChI=1S/C21H29NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,13,17H,8-12H2,1-5H3",CC=C1CC(C)C(C)(OC(C)=O)C(=O)OCC2=CCN(C)CCC(OC1=O)C2=O,C21H29NO7,pos_1_1proton1methanol,407.194402268,ZOIAVVNLMDKOIV,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 2368,2889,-1,,,,0.0,MS1_match,ZOIAVVNLMDKOIV-JNNPZHNTSA-N,"InChI=1S/C21H29NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,13,17H,8-12H2,1-5H3/b15-6-,16-7-/t13-,17-,21+/m1/s1",C/C=C1/C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OC/C2=C/CN(C)CC[C@@H](OC1=O)C2=O,C21H29NO7,pos_1_1proton1methanol,407.194402268,ZOIAVVNLMDKOIV,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 2369,2887,-1,,,,0.0,MS1_match,GUBGYTABKSRVRQ-ASMJPISFSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 2370,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],6,0,6.0 2371,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 2372,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],6,0,6.0 2373,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,0,6.0 2374,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,0,6.0 2375,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 2376,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 2377,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 2378,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],6,0,6.0 2379,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 2380,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],6,0,6.0 2381,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 2382,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],6,0,6.0 2383,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,0,6.0 2384,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,0,6.0 2385,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 2386,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 2387,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 2388,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],6,0,6.0 2389,2887,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 2390,2887,-1,,,,0.0,MS1_match,GUBGYTABKSRVRQ-WFVLMXAXSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,C12H22O11,pos_1_1proton1ethylamine,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,0,6.0 2391,2887,-1,,,,0.0,MS1_match,GUBGYTABKSRVRQ-ASMJPISFSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 2392,2887,-1,,,,0.0,MS1_match,GUBGYTABKSRVRQ-WFVLMXAXSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,C12H22O11,pos_1_1proton1ethylamine,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,0,6.0 2393,2887,-1,,,,0.0,MS1_match,HIWPGCMGAMJNRG-CQHUIXDMSA-N,"InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,HIWPGCMGAMJNRG,Carbohydrates,Saccharides,Disaccharides,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 2394,2887,-1,,,,0.0,MS1_match,HIWPGCMGAMJNRG-CQHUIXDMSA-N,"InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,HIWPGCMGAMJNRG,Carbohydrates,Saccharides,Disaccharides,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 2395,2886,-1,,,,0.0,MS1_match,FPJFPMQEUVMUKU-CDDCGRQRSA-N,"InChI=1S/C26H34O10/c1-12-23(30)24(31)25(32)26(36-12)35-11-17-15(10-27)6-14-8-21(34-3)19(29)9-16(14)22(17)13-4-5-18(28)20(7-13)33-2/h4-5,7-9,12,15,17,22-32H,6,10-11H2,1-3H3/t12-,15-,17-,22-,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ethylamine,506.2151972879998,FPJFPMQEUVMUKU,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2396,2886,-1,,,,0.0,MS1_match,FPJFPMQEUVMUKU-CDDCGRQRSA-N,"InChI=1S/C26H34O10/c1-12-23(30)24(31)25(32)26(36-12)35-11-17-15(10-27)6-14-8-21(34-3)19(29)9-16(14)22(17)13-4-5-18(28)20(7-13)33-2/h4-5,7-9,12,15,17,22-32H,6,10-11H2,1-3H3/t12-,15-,17-,22-,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ethylamine,506.2151972879998,FPJFPMQEUVMUKU,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2397,2886,-1,,,,0.0,MS1_match,AVAZTTIAQSFWRK-JKPLZBKSSA-N,"InChI=1S/C26H34O10/c1-12-23(29)24(30)25(31)26(36-12)35-11-16-19(32-2)8-14-9-21(34-4)18(28)10-15(14)22(16)13-5-6-17(27)20(7-13)33-3/h5-7,9-10,12,16,19,22-31H,8,11H2,1-4H3/t12-,16-,19+,22-,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](OC)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ethylamine,506.215197288,AVAZTTIAQSFWRK,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2398,2886,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ethylamine,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2399,2886,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ethylamine,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2400,2886,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ethylamine,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2401,2886,-1,,,,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ethylamine,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2402,2886,-1,,,,0.0,MS1_match,RLJNIUWDLJTFJV-DZUWHBGLSA-N,"InChI=1S/C26H34O10/c1-13-22(29)23(30)24(31)26(36-13)35-12-17-16(8-14-4-6-18(27)20(9-14)32-2)11-34-25(17)15-5-7-19(28)21(10-15)33-3/h4-7,9-10,13,16-17,22-31H,8,11-12H2,1-3H3/t13-,16+,17+,22-,23+,24+,25-,26+/m0/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ethylamine,506.215197288,RLJNIUWDLJTFJV,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2403,2886,-1,,,,0.0,MS1_match,RLJNIUWDLJTFJV-DZUWHBGLSA-N,"InChI=1S/C26H34O10/c1-13-22(29)23(30)24(31)26(36-13)35-12-17-16(8-14-4-6-18(27)20(9-14)32-2)11-34-25(17)15-5-7-19(28)21(10-15)33-3/h4-7,9-10,13,16-17,22-31H,8,11-12H2,1-3H3/t13-,16+,17+,22-,23+,24+,25-,26+/m0/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ethylamine,506.215197288,RLJNIUWDLJTFJV,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2404,2885,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.30459777,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,10.718391060829163 2405,2885,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.30459777,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,10.718391060829163 2406,2885,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.30459777,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,10.718391060829163 2407,2885,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.30459777,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,10.718391060829163 2408,2885,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.30459777,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,10.718391060829163 2409,2883,-1,,,,0.0,MS1_match,FFYPJOJFUJFYAT-AWZIMYOFSA-N,"InChI=1S/C24H38O11/c1-11-7-13(25)8-24(3,4)14(11)6-5-12(2)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h5-7,12,14-23,26-31H,8-10H2,1-4H3/b6-5+/t12-,14+,15-,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_minus1proton2sodium,502.241412036,FFYPJOJFUJFYAT,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 2410,2883,-1,,,,0.0,MS1_match,DQQUPMXQGJRNAW-HYPVQEEESA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_minus1proton2sodium,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 2411,2883,-1,,,,0.0,MS1_match,DQQUPMXQGJRNAW-HYPVQEEESA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_minus1proton2sodium,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2412,2880,192,,,,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1sodium,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 2413,2880,192,,,,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1sodium,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 2414,2879,-1,,,,0.0,MS1_match,KBRCLNZPIXOEQJ-ZIFCJYIRSA-N,"InChI=1S/C20H20O10/c1-28-20(27)17(8-18(25)26)29-16-7-11-13(23)5-10(21)6-15(11)30-19(16)9-2-3-12(22)14(24)4-9/h2-6,16-17,19,21-24H,7-8H2,1H3,(H,25,26)/t16-,17+,19-/m1/s1",COC(=O)[C@H](CC(=O)O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1,C20H20O10,pos_2_2sodium,420.10564684,KBRCLNZPIXOEQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,0,6.0 2415,2877,610,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,TUDVISHNHBQYQJ-MCIHCYAUSA-N,"InChI=1S/C24H40O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h7,13,15-22,25,27-31H,5-6,8-11H2,1-4H3/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H40O11,pos_1_1proton1ethylamine,504.2570621,TUDVISHNHBQYQJ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,8.5 2416,2877,610,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,TUDVISHNHBQYQJ-MCIHCYAUSA-N,"InChI=1S/C24H40O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h7,13,15-22,25,27-31H,5-6,8-11H2,1-4H3/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H40O11,pos_1_1proton1ethylamine,504.2570621,TUDVISHNHBQYQJ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 2417,2876,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.33112705,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Magallana gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,3.8245081901550293 2418,2876,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.33112705,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Crassostrea gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,3.8245081901550293 2419,2876,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.33112705,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula sandai,920655.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula sandai'],1,3,3.8245081901550293 2420,2876,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.33112705,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula japonica,920654.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula japonica'],1,3,3.8245081901550293 2421,2875,-1,,,,0.0,MS1_match,PJOFVVRGQAIWEF-KRWVDWDSSA-N,"InChI=1S/C20H26O8/c1-13(12-27-16(22)8-7-14-5-3-2-4-6-14)9-10-26-20-19(25)18(24)17(23)15(11-21)28-20/h2-8,15,17-21,23-25H,1,9-12H2/b8-7+/t15-,17-,18+,19-,20-/m1/s1",C=C(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)COC(=O)/C=C/c1ccccc1,C20H26O8,pos_1_1sodium,394.162767792,PJOFVVRGQAIWEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea canescens,832446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea canescens'],6,0,6.0 2422,2875,-1,,,,0.0,MS1_match,UWQYFRLKACSGMZ-KRWVDWDSSA-N,"InChI=1S/C20H26O8/c1-13(11-21)9-10-26-20-19(25)18(24)17(23)15(28-20)12-27-16(22)8-7-14-5-3-2-4-6-14/h2-8,15,17-21,23-25H,1,9-12H2/b8-7+/t15-,17-,18+,19-,20-/m1/s1",C=C(CO)CCO[C@@H]1O[C@H](COC(=O)/C=C/c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O,C20H26O8,pos_1_1sodium,394.162767792,UWQYFRLKACSGMZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea canescens,832446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea canescens'],6,0,6.0 2423,2875,-1,,,,0.0,MS1_match,SQONGCXFEFFQKS-MOPGFXCFSA-N,"InChI=1S/C20H26O8/c1-26-16-10-13(5-6-14(16)23)19(25)18(11-22)28-20-15(24)8-12(4-3-7-21)9-17(20)27-2/h5-6,8-10,18-19,21-25H,3-4,7,11H2,1-2H3/t18-,19+/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2c(O)cc(CCCO)cc2OC)ccc1O,C20H26O8,pos_1_1sodium,394.162767792,SQONGCXFEFFQKS,Shikimates and Phenylpropanoids,Lignans,Neolignans,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 2424,2874,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ethylamine,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 2425,2874,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ethylamine,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 2426,2874,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ethylamine,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 2427,2874,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ethylamine,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 2428,2874,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ethylamine,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 2429,2874,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ethylamine,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 2430,2871,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HOVAGTYPODGVJG-XUUWZHRGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1proton1ammonium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,3,7.5 2431,2871,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HOVAGTYPODGVJG-XUUWZHRGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1proton1ammonium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa hybrida,3905012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa hybrid cultivar'],6,3,7.5 2432,2871,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HOVAGTYPODGVJG-ZYNSJIGGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m0/s1",CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C7H14O6,pos_1_1proton1ammonium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa polliniana,3905012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa hybrid cultivar'],6,3,7.5 2433,2870,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YZXBAPSDXZZRGB-UHFFFAOYSA-N,"InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)",CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,C20H32O2,pos_1_minus1proton1iron,304.240230264,YZXBAPSDXZZRGB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,0,7.0 2434,2868,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,NLKKHZDQGNSHOS-DODNOZFWSA-N,"InChI=1S/C23H30O13/c1-11(24)31-10-18-20(32-12(2)25)21(33-13(3)26)22(34-14(4)27)23(36-18)35-15-8-16(28-5)19(30-7)17(9-15)29-6/h8-9,18,20-23H,10H2,1-7H3/t18-,20-,21+,22-,23-/m1/s1",COc1cc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc(OC)c1OC,C23H30O13,pos_1_1proton1acetonitrile,514.16864102,NLKKHZDQGNSHOS,Shikimates and Phenylpropanoids,,,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,1,6.5 2435,2866,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1proton1acetonitrile,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 2436,2866,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1proton1acetonitrile,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 2437,2866,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1proton1acetonitrile,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 2438,2866,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton1acetonitrile,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 2439,2866,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton1acetonitrile,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 2440,2866,-1,,,,0.0,MS1_match,HUXWBFFRUHXOBU-CPRQJHDUSA-N,"InChI=1S/C15H18O9/c16-6-11(20)13(22)15(24)14(23)12(21)9(18)4-2-7-1-3-8(17)10(19)5-7/h1-5,11,13-17,19-20,22-24H,6H2/b4-2+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O9,pos_1_1proton1acetonitrile,342.095082156,HUXWBFFRUHXOBU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 2441,2866,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton1acetonitrile,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 2442,2865,-1,,,,0.0,MS1_match,KLDQRYHKZZCLKR-SSLCBRODSA-N,"InChI=1S/C15H18O10/c16-8-3-1-7(5-9(8)17)2-4-11(18)25-23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OOC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O10,pos_1_1proton1acetonitrile,358.089996776,KLDQRYHKZZCLKR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,0,6.0 2443,2864,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1proton1acetonitrile,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 2444,2864,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1proton1acetonitrile,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 2445,2864,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1proton1acetonitrile,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 2446,2864,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton1acetonitrile,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 2447,2864,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton1acetonitrile,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 2448,2864,-1,,,,0.0,MS1_match,HUXWBFFRUHXOBU-CPRQJHDUSA-N,"InChI=1S/C15H18O9/c16-6-11(20)13(22)15(24)14(23)12(21)9(18)4-2-7-1-3-8(17)10(19)5-7/h1-5,11,13-17,19-20,22-24H,6H2/b4-2+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O9,pos_1_1proton1acetonitrile,342.095082156,HUXWBFFRUHXOBU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 2449,2864,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton1acetonitrile,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 2450,2863,-1,,,,0.0,MS1_match,HRUPKKAITRRGMV-GLEFEWGCSA-N,"InChI=1S/C21H16O13/c1-5(22)31-10-4-30-21(16(27)14(10)25)32-9-3-7-12-11-6(19(28)34-18(12)15(9)26)2-8(23)13(24)17(11)33-20(7)29/h2-3,10,14,16,21,23-27H,4H2,1H3/t10-,14-,16+,21-/m0/s1",CC(=O)O[C@H]1CO[C@@H](Oc2cc3c(=O)oc4c(O)c(O)cc5c(=O)oc(c2O)c3c45)[C@H](O)[C@H]1O,C21H16O13,pos_1_1proton1ethylamine,476.059090572,HRUPKKAITRRGMV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus idaeus,156929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus idaeus'],6,0,6.0 2451,2862,-1,,,,0.0,MS1_match,BYSRPHRKESMCPO-XDJXAWJCSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41+,44-,45+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 2452,2862,-1,,,,0.0,MS1_match,BYSRPHRKESMCPO-XDJXAWJCSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41+,44-,45+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 2453,2861,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ammonium,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 2454,2861,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ammonium,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 2455,2861,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ammonium,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 2456,2861,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,OZOQXURHSVUEDM-FNMKIYJNSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17-,21-,22+,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_1_1proton1ammonium,506.2151972879998,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 2457,2858,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.33885372,ISDB,JPLATTLXZFUKRQ-UVMZSPEXSA-N,"InChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2/t4-,5+,6+,7-,8-,9+,10+,11-,12-/m0/s1",O=C[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C12H20O10,,324.10564684,JPLATTLXZFUKRQ,Carbohydrates,Saccharides,Disaccharides,Chondrus ocellatus,372375.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Chondrus'],['Chondrus ocellatus'],2,3,4.855414867401123 2458,2858,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.33885372,ISDB,JPLATTLXZFUKRQ-AWXGPMDLSA-N,"InChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2/t4-,5+,6-,7+,8+,9-,10+,11-,12+/m1/s1",O=C[C@@H](O)[C@@H]1OC[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C12H20O10,,324.10564684,JPLATTLXZFUKRQ,Carbohydrates,Saccharides,Disaccharides,Gloiopeltis furcata,275661.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Gloiopeltis'],['Gloiopeltis furcata'],2,3,4.855414867401123 2459,2858,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.33885372,ISDB,JPLATTLXZFUKRQ-UHFFFAOYSA-N,"InChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2",O=CC(O)C1OCC(O)C1OC1OC(CO)C(O)C(O)C1O,C12H20O10,,324.10564684,JPLATTLXZFUKRQ,Carbohydrates,Saccharides,Disaccharides,Pterocladiella tenuis,182322.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Pterocladiella'],['Pterocladiella tenuis'],2,3,4.855414867401123 2460,2855,-1,,,,0.0,MS1_match,RPIFZBLUZMLYHZ-UHFFFAOYSA-N,"InChI=1S/C21H22O6/c1-3-26-21(24)13-7-15-4-9-17(10-5-15)27-19-14-16(6-11-18(19)22)8-12-20(23)25-2/h4-6,8-12,14,22H,3,7,13H2,1-2H3",CCOC(=O)CCc1ccc(Oc2cc(C=CC(=O)OC)ccc2O)cc1,C21H22O6,pos_2MFe,370.141638424,RPIFZBLUZMLYHZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea formosana,258075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea formosana'],6,0,6.0 2461,2853,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PKNANBLYJZQXLC-GJZGRUSLSA-N,"InChI=1S/C17H16O7/c1-22-16-10(19)7-11-12(17(16)23-2)13(20)14(21)15(24-11)8-3-5-9(18)6-4-8/h3-7,14-15,18-19,21H,1-2H3/t14-,15-/m0/s1",COc1c(O)cc2c(c1OC)C(=O)[C@H](O)[C@H](c1ccc(O)cc1)O2,C17H16O7,pos_1_minus1proton1magnesium,332.089602852,PKNANBLYJZQXLC,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Adenostoma sparsifolium,833577.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sorbarieae'],['Adenostoma'],['Adenostoma sparsifolium'],6,1,6.5 2462,2853,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KALYBGCOEHEKGT-GJZGRUSLSA-N,"InChI=1S/C17H16O7/c1-22-9-5-3-8(4-6-9)15-14(21)13(20)12-10(18)7-11(19)16(23-2)17(12)24-15/h3-7,14-15,18-19,21H,1-2H3/t14-,15-/m0/s1",COc1ccc([C@@H]2Oc3c(OC)c(O)cc(O)c3C(=O)[C@@H]2O)cc1,C17H16O7,pos_1_minus1proton1magnesium,332.089602852,KALYBGCOEHEKGT,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,1,6.5 2463,2853,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MEROIHPPFMVPPD-HOTGVXAUSA-N,"InChI=1S/C17H16O7/c1-22-9-5-3-8(4-6-9)16-15(21)13(19)12-11(24-16)7-10(18)17(23-2)14(12)20/h3-7,15-16,18,20-21H,1-2H3/t15-,16-/m0/s1",COc1ccc([C@@H]2Oc3cc(O)c(OC)c(O)c3C(=O)[C@@H]2O)cc1,C17H16O7,pos_1_minus1proton1magnesium,332.089602852,MEROIHPPFMVPPD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,1,6.5 2464,2852,962,,,,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_minus1proton1iron,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 2465,2852,962,,,,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_minus1proton1iron,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2466,2848,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HXFCTKKFLJMYHC-UHFFFAOYSA-N,"InChI=1S/C13H10O9/c1-20-4-3-5(14)22-10-6(4)7(12(16)17)8(13(18)19)9(15)11(10)21-2/h3,15H,1-2H3,(H,16,17)(H,18,19)",COc1c(O)c(C(=O)O)c(C(=O)O)c2c(OC)cc(=O)oc12,C13H10O9,pos_1_1proton1ethylamine,310.0324819,HXFCTKKFLJMYHC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),,Sanguisorba minor,894082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba minor'],6,1,6.5 2467,2847,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 2468,2847,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 2469,2846,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_2_2sodium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],6,3,7.5 2470,2845,135,Fatty acids,Fatty esters,Wax monoesters,0.29906982,ISDB,NEHDRDVHPTWWFG-UHFFFAOYSA-N,"InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3",CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,C22H42O4,,370.308309824,NEHDRDVHPTWWFG,Fatty acids,Fatty esters,Wax monoesters,Launaea resedifolia,7621166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Launaea'],['Launaea resedifolia'],0,3,2.696279287338257 2471,2845,135,Fatty acids,Fatty esters,Wax monoesters,0.29906982,ISDB,NEHDRDVHPTWWFG-UHFFFAOYSA-N,"InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3",CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,C22H42O4,,370.308309824,NEHDRDVHPTWWFG,Fatty acids,Fatty esters,Wax monoesters,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.696279287338257 2472,2844,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,IFYYFLINQYPWGJ-UHFFFAOYSA-N,"InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3",CCCCCCC1CCC(=O)O1,C10H18O2,pos_1_1proton1acetonitrile,170.130679816,IFYYFLINQYPWGJ,Fatty acids,Fatty esters,Lactones,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 2473,2843,164,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.0,MS1_match,INAXVXBDKKUCGI-UHFFFAOYSA-N,"InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3",CC1=C(O)C(=O)C(C)O1,C6H8O3,pos_1_1proton1ammonium,128.047344116,INAXVXBDKKUCGI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,3,8.5 2474,2842,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,WSWCOQWTEOXDQX-MQQKCMAXSA-N,"InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+",C/C=C/C=C/C(=O)O,C6H8O2,pos_1_1proton1ammonium,112.052429496,WSWCOQWTEOXDQX,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 2475,2842,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,GOUILHYTHSOMQJ-UHFFFAOYSA-N,"InChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h3-5H,2H2,1H3",CCC1C=CC(=O)O1,C6H8O2,pos_1_1proton1ammonium,112.052429496,GOUILHYTHSOMQJ,,,,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 2476,2842,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,FERIUCNNQQJTOY-UHFFFAOYSA-N,"InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)",CCCC(=O)O,C4H8O2,pos_1_1proton1acetonitrile,88.052429496,FERIUCNNQQJTOY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 2477,2842,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,FERIUCNNQQJTOY-UHFFFAOYSA-N,"InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)",CCCC(=O)O,C4H8O2,pos_1_1proton1acetonitrile,88.052429496,FERIUCNNQQJTOY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 2478,2842,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,FERIUCNNQQJTOY-UHFFFAOYSA-N,"InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)",CCCC(=O)O,C4H8O2,pos_1_1proton1acetonitrile,88.052429496,FERIUCNNQQJTOY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 2479,2842,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,SZHOJFHSIKHZHA-UHFFFAOYSA-N,"InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)",CCCCCCCCCCCCC(=O)O,C13H26O2,pos_2_2sodium,214.193280072,SZHOJFHSIKHZHA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 2480,2842,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ROWKJAVDOGWPAT-UHFFFAOYSA-N,"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3",CC(=O)C(C)O,C4H8O2,pos_1_1proton1acetonitrile,88.052429496,ROWKJAVDOGWPAT,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 2481,2842,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ROWKJAVDOGWPAT-UHFFFAOYSA-N,"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3",CC(=O)C(C)O,C4H8O2,pos_1_1proton1acetonitrile,88.052429496,ROWKJAVDOGWPAT,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 2482,2842,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ROWKJAVDOGWPAT-UHFFFAOYSA-N,"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3",CC(=O)C(C)O,C4H8O2,pos_1_1proton1acetonitrile,88.052429496,ROWKJAVDOGWPAT,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 2483,2841,86,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_minus1proton1calcium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 2484,2841,86,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_minus1proton1calcium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 2485,2840,164,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.0,MS1_match,INAXVXBDKKUCGI-UHFFFAOYSA-N,"InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3",CC1=C(O)C(=O)C(C)O1,C6H8O3,pos_1_1proton1ammonium,128.047344116,INAXVXBDKKUCGI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,3,8.5 2486,2837,-1,,,,0.0,MS1_match,GUBGYTABKSRVRQ-ASMJPISFSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 2487,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],6,0,6.0 2488,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 2489,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],6,0,6.0 2490,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,0,6.0 2491,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,0,6.0 2492,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 2493,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 2494,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 2495,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],6,0,6.0 2496,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 2497,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],6,0,6.0 2498,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 2499,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],6,0,6.0 2500,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,0,6.0 2501,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,0,6.0 2502,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 2503,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 2504,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 2505,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],6,0,6.0 2506,2837,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 2507,2837,-1,,,,0.0,MS1_match,GUBGYTABKSRVRQ-WFVLMXAXSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,C12H22O11,pos_1_1proton1ethylamine,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,0,6.0 2508,2837,-1,,,,0.0,MS1_match,GUBGYTABKSRVRQ-ASMJPISFSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 2509,2837,-1,,,,0.0,MS1_match,GUBGYTABKSRVRQ-WFVLMXAXSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,C12H22O11,pos_1_1proton1ethylamine,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,0,6.0 2510,2837,-1,,,,0.0,MS1_match,HIWPGCMGAMJNRG-CQHUIXDMSA-N,"InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,HIWPGCMGAMJNRG,Carbohydrates,Saccharides,Disaccharides,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 2511,2837,-1,,,,0.0,MS1_match,HIWPGCMGAMJNRG-CQHUIXDMSA-N,"InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,HIWPGCMGAMJNRG,Carbohydrates,Saccharides,Disaccharides,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 2512,2834,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 2513,2834,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 2514,2834,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-GQUPQBGVSA-O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H21O11+,pos_1_1sodium,449.10783791208985,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 2515,2834,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-GQUPQBGVSA-N,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/t16-,17-,18+,19-,21-/m1/s1",[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C21H20O11,pos_1_1sodium,448.10056146,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 2516,2834,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-GQUPQBGVSA-O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H21O11+,pos_1_1sodium,449.10783791208985,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 2517,2834,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-TUPRLDOISA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21+/m0/s1",C[C@@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 2518,2834,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-JHPRLSDPSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m1/s1",C[C@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@@H](O)[C@@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus triloba,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,0,8.0 2519,2834,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus ulmifolia,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,0,8.0 2520,2834,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus salicina,190311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus salicina'],8,0,8.0 2521,2834,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-WVXKDWSHSA-O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O,C21H21O11+,pos_1_1sodium,449.10783791208985,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 2522,2834,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-WVXKDWSHSA-O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O,C21H21O11+,pos_1_1sodium,449.10783791208985,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 2523,2834,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 2524,2834,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 2525,2834,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-GQUPQBGVSA-O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H21O11+,pos_1_1sodium,449.10783791208985,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,0,8.0 2526,2834,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-GQUPQBGVSA-O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H21O11+,pos_1_1sodium,449.10783791208985,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,0,8.0 2527,2834,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 2528,2834,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-TUPRLDOISA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21+/m0/s1",C[C@@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 2529,2834,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-JHPRLSDPSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m1/s1",C[C@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@@H](O)[C@@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus triloba,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,0,8.0 2530,2834,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 2531,2834,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 2532,2834,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 2533,2834,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 2534,2834,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 2535,2834,-1,,,,0.0,MS1_match,AUCGRWHWAGXNQS-GIWSLNRASA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-3-1-8(2-4-10)20-18(28)16(26)14-11(24)5-9(23)6-12(14)31-20/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17-,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,AUCGRWHWAGXNQS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 2536,2834,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 2537,2834,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 2538,2834,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 2539,2834,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 2540,2834,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 2541,2834,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 2542,2834,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus salicina,190311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus salicina'],8,0,8.0 2543,2834,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus ulmifolia,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,0,8.0 2544,2834,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 2545,2834,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-GQUPQBGVSA-O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H21O11+,pos_1_1sodium,449.10783791208985,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 2546,2834,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-GQUPQBGVSA-N,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/t16-,17-,18+,19-,21-/m1/s1",[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C21H20O11,pos_1_1sodium,448.10056146,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 2547,2834,-1,,,,0.0,MS1_match,WJHSRFQBVYHKKL-NLXYUYROSA-N,"InChI=1S/C21H20O11/c22-6-15-18(27)19(28)20(29)21(32-15)31-9-4-13(25)16-14(5-9)30-7-10(17(16)26)8-1-2-11(23)12(24)3-8/h1-5,7,15,18-25,27-29H,6H2/t15-,18-,19?,20-,21-/m1/s1",O=c1c(-c2ccc(O)c(O)c2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)C(O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,WJHSRFQBVYHKKL,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 2548,2834,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 2549,2834,-1,,,,0.0,MS1_match,KKJMOABHCCNIEF-WVXKDWSHSA-N,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,24-29H,7H2/t16-,17+,18+,19-,21-/m1/s1",O=c1cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc-2c(O)c1,C21H20O11,pos_1_1sodium,448.10056146,KKJMOABHCCNIEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,8.0 2550,2834,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 2551,2834,-1,,,,0.0,MS1_match,AUCGRWHWAGXNQS-GIWSLNRASA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-3-1-8(2-4-10)20-18(28)16(26)14-11(24)5-9(23)6-12(14)31-20/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17-,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,AUCGRWHWAGXNQS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 2552,2834,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 2553,2834,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 2554,2834,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-GQUPQBGVSA-N,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/t16-,17-,18+,19-,21-/m1/s1",[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C21H20O11,pos_1_1sodium,448.10056146,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,0,8.0 2555,2834,-1,,,,0.0,MS1_match,XYWFSSFJPFAYCA-JRJNMRRASA-O,"InChI=1S/C21H20O11/c1-29-15-3-8(2-12(24)17(15)26)20-16(32-21-19(28)18(27)13(25)7-30-21)6-10-11(23)4-9(22)5-14(10)31-20/h2-6,13,18-19,21,25,27-28H,7H2,1H3,(H3-,22,23,24,26)/p+1/t13-,18-,19-,21-/m1/s1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)cc(O)c1O,C21H21O11+,pos_1_1sodium,449.10783791209,XYWFSSFJPFAYCA,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 2556,2834,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 2557,2833,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ethylamine,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 2558,2833,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ethylamine,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 2559,2833,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ethylamine,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 2560,2833,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ethylamine,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 2561,2833,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,pos_1_1proton1ethylamine,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 2562,2833,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,pos_1_1proton1ethylamine,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 2563,2833,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,QOLJILMTPKQQQA-JGMJVPOWSA-N,"InChI=1S/C19H34O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12+,14-,15-,16+,17-,18-/m1/s1",CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H34O7,pos_1_1proton1acetonitrile,374.230453428,QOLJILMTPKQQQA,Terpenoids,Apocarotenoids,Megastigmanes,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 2564,2833,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,QOLJILMTPKQQQA-JGMJVPOWSA-N,"InChI=1S/C19H34O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12+,14-,15-,16+,17-,18-/m1/s1",CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H34O7,pos_1_1proton1acetonitrile,374.230453428,QOLJILMTPKQQQA,Terpenoids,Apocarotenoids,Megastigmanes,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 2565,2831,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6355148,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,12.042059183120728 2566,2831,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6355148,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,12.042059183120728 2567,2831,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6355148,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,3,12.042059183120728 2568,2831,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6355148,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus fruticosa,821200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus fruticosa'],8,3,12.042059183120728 2569,2831,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6355148,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,12.042059183120728 2570,2831,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6355148,ISDB,CXQWRCVTCMQVQX-UHFFFAOYSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,3,12.042059183120728 2571,2831,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6355148,ISDB,CXQWRCVTCMQVQX-UHFFFAOYSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],8,3,12.042059183120728 2572,2831,294,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6355148,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,12.042059183120728 2573,2830,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SMWPODZFOYKZAS-NFAHFFEMSA-N,"InChI=1S/C15H16O8/c1-22-11-7-9(3-4-10(11)13(18)19)5-6-15(23-2,14(20)21)8-12(16)17/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/b6-5+/t15-/m0/s1",COc1cc(/C=C/[C@@](CC(=O)O)(OC)C(=O)O)ccc1C(=O)O,C15H16O8,pos_1_1proton,324.084517472,SMWPODZFOYKZAS,Shikimates and Phenylpropanoids,,,Sanguisorba minor,894082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba minor'],6,1,6.5 2574,2829,-1,,,,0.0,MS1_match,SFKYGNQGJSKDTB-VOFPXKNKSA-N,"InChI=1S/C22H22O9/c1-28-12-7-15-18(13(24)9-14(29-15)11-5-3-2-4-6-11)16(8-12)30-22-21(27)20(26)19(25)17(10-23)31-22/h2-9,17,19-23,25-27H,10H2,1H3/t17-,19-,20+,21-,22+/m1/s1",COc1cc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccccc3)oc2c1,C22H22O9,pos_1_minus1proton2sodium,430.126382284,SFKYGNQGJSKDTB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 2575,2828,23,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1sodium1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2576,2828,23,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1sodium1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 2577,2827,273,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 2578,2827,273,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 2579,2827,273,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 2580,2827,273,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 2581,2827,273,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 2582,2823,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,LFKQVVDFNHDYNK-FOXCETOMSA-N,"InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H26O11,pos_1_1proton1acetonitrile,478.1475116519999,LFKQVVDFNHDYNK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 2583,2823,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,LFKQVVDFNHDYNK-FOXCETOMSA-N,"InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H26O11,pos_1_1proton1acetonitrile,478.1475116519999,LFKQVVDFNHDYNK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 2584,2823,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,LFKQVVDFNHDYNK-FOXCETOMSA-N,"InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H26O11,pos_1_1proton1acetonitrile,478.1475116519999,LFKQVVDFNHDYNK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 2585,2823,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,LFKQVVDFNHDYNK-FOXCETOMSA-N,"InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H26O11,pos_1_1proton1acetonitrile,478.1475116519999,LFKQVVDFNHDYNK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 2586,2819,320,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VCCRNZQBSJXYJD-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H",O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,VCCRNZQBSJXYJD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 2587,2818,601,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,YYGNTYWPHWGJRM-UHFFFAOYSA-N,"InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3",CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C,C30H50,pos_2MMg,410.3912516,YYGNTYWPHWGJRM,Terpenoids,Triterpenoids,Acyclic triterpenoids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,1,7.5 2588,2815,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.29783544,ISDB,BMQNSHDVIYZULR-FZJJXLMSSA-N,"InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-26,36,41H,27-29H2,1-10H3/b12-11+,18-13-,19-14-,25-23+,26-24+,30-16+,31-17+,32-20-,33-21-",CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)/C=C/C2=C(C)CC(O)CC2(C)C)C(C)(C)CC=C1,C40H54O,,550.417466348,BMQNSHDVIYZULR,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],4,3,6.691341757774353 2589,2813,86,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.24283019,ISDB,JYBXDWXPXSTXCT-UHFFFAOYSA-N,"InChI=1S/C20H20Cl2O6/c1-6-8(2)13-16(22)17(24)10(4)18(25)19(13)28-12-7-11(23)15(21)9(3)14(12)20(26)27-5/h6-7,23-25H,1-5H3",CC=C(C)c1c(Cl)c(O)c(C)c(O)c1Oc1cc(O)c(Cl)c(C)c1C(=O)OC,C20H20Cl2O6,,426.06369372,JYBXDWXPXSTXCT,Polyketides,Diphenyl ethers (DPEs),Fungal DPEs,Aspergillus unguis,339237.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus unguis'],1,0,1.9713207483291626 2590,2812,71,Fatty acids,Sphingolipids,Other Octadecanoids,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_2MHCH3CN,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,1,8.5 2591,2812,71,Fatty acids,Sphingolipids,Other Octadecanoids,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_2MHCH3CN,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,1,8.5 2592,2812,71,Fatty acids,Sphingolipids,Other Octadecanoids,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_2MHCH3CN,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,1,8.5 2593,2808,181,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,7.5 2594,2808,181,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,3,7.5 2595,2808,181,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,7.5 2596,2808,181,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,7.5 2597,2808,181,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,3,7.5 2598,2808,181,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,7.5 2599,2808,181,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,7.5 2600,2808,181,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,3,7.5 2601,2808,181,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,7.5 2602,2806,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28202975,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,10.628118991851807 2603,2806,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28202975,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,10.628118991851807 2604,2806,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28202975,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,10.628118991851807 2605,2806,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28202975,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,10.628118991851807 2606,2806,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28202975,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,10.628118991851807 2607,2805,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ILEDWLMCKZNDJK-UHFFFAOYSA-N,"InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H",O=c1ccc2cc(O)c(O)cc2o1,C9H6O4,pos_1_1proton,178.026608672,ILEDWLMCKZNDJK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,1,8.5 2608,2802,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.648706,ISDB,,,,,,,XCADPUVJDQXSTQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.5948240756988525 2609,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 2610,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,3,7.5 2611,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa agrestis,775482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa agrestis'],6,3,7.5 2612,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,7.5 2613,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa taiwanensis,5523655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa taiwanensis'],6,3,7.5 2614,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus irenaeus,539746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus irenaeus'],6,3,7.5 2615,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Spiraea formosana,258075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea formosana'],6,3,7.5 2616,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus bretschneideri,3902937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus x bretschneideri'],6,3,7.5 2617,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Crataegus flava,70190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus flava'],6,3,7.5 2618,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,3,7.5 2619,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa bella,137959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa bella'],6,3,7.5 2620,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Acaena splendens,984471.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Acaena'],['Acaena splendens'],6,3,7.5 2621,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 2622,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],6,3,7.5 2623,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,3,7.5 2624,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,3,7.5 2625,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prinsepia utilis,3903986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Prinsepia'],['Prinsepia utilis'],6,3,7.5 2626,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus coreanus,91575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus coreanus'],6,3,7.5 2627,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-IBPJKQSTSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25-,26-,27-,28-,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C,C35H60O6,pos_1_1potassium,576.4389896399998,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus pashia,181935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pashia'],6,3,7.5 2628,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 2629,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 2630,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,3,7.5 2631,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,3,7.5 2632,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,3,7.5 2633,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,3,7.5 2634,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 2635,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],6,3,7.5 2636,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],6,3,7.5 2637,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,3,7.5 2638,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,3,7.5 2639,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa bella,137959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa bella'],6,3,7.5 2640,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Acaena splendens,984471.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Acaena'],['Acaena splendens'],6,3,7.5 2641,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],6,3,7.5 2642,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 2643,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,3,7.5 2644,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,3,7.5 2645,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prinsepia utilis,3903986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Prinsepia'],['Prinsepia utilis'],6,3,7.5 2646,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus coreanus,91575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus coreanus'],6,3,7.5 2647,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-IBPJKQSTSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25-,26-,27-,28-,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C,C35H60O6,pos_1_1potassium,576.4389896399998,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus pashia,181935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pashia'],6,3,7.5 2648,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 2649,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa davidii,756347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa davidii'],6,3,7.5 2650,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 2651,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,3,7.5 2652,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,3,7.5 2653,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,3,7.5 2654,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],6,3,7.5 2655,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 2656,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],6,3,7.5 2657,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles japonica,852470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles japonica'],6,3,7.5 2658,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,3,7.5 2659,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-QYDWNGEASA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 2660,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-QYDWNGEASA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 2661,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],6,3,7.5 2662,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,3,7.5 2663,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Crataegus flava,70190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus flava'],6,3,7.5 2664,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus bretschneideri,3902937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus x bretschneideri'],6,3,7.5 2665,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles japonica,852470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles japonica'],6,3,7.5 2666,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 2667,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,3,7.5 2668,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,3,7.5 2669,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,3,7.5 2670,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,3,7.5 2671,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],6,3,7.5 2672,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 2673,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],6,3,7.5 2674,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles japonica,852470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles japonica'],6,3,7.5 2675,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,3,7.5 2676,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-QYDWNGEASA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 2677,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-QYDWNGEASA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 2678,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],6,3,7.5 2679,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,3,7.5 2680,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa davidii,756347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa davidii'],6,3,7.5 2681,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],6,3,7.5 2682,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 2683,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,3,7.5 2684,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa agrestis,775482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa agrestis'],6,3,7.5 2685,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,7.5 2686,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa taiwanensis,5523655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa taiwanensis'],6,3,7.5 2687,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus irenaeus,539746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus irenaeus'],6,3,7.5 2688,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Spiraea formosana,258075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea formosana'],6,3,7.5 2689,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],6,3,7.5 2690,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-IBPJKQSTSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25-,26-,27-,28-,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C,C35H60O6,pos_1_1potassium,576.4389896399998,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus pashia,181935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pashia'],6,3,7.5 2691,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 2692,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prinsepia utilis,3903986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Prinsepia'],['Prinsepia utilis'],6,3,7.5 2693,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,3,7.5 2694,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-QYDWNGEASA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 2695,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-QYDWNGEASA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 2696,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],6,3,7.5 2697,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,3,7.5 2698,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa davidii,756347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa davidii'],6,3,7.5 2699,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],6,3,7.5 2700,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 2701,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,3,7.5 2702,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa agrestis,775482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa agrestis'],6,3,7.5 2703,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus coreanus,91575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus coreanus'],6,3,7.5 2704,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,7.5 2705,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus irenaeus,539746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus irenaeus'],6,3,7.5 2706,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Spiraea formosana,258075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea formosana'],6,3,7.5 2707,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus bretschneideri,3902937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus x bretschneideri'],6,3,7.5 2708,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Crataegus flava,70190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus flava'],6,3,7.5 2709,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,3,7.5 2710,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa bella,137959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa bella'],6,3,7.5 2711,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Acaena splendens,984471.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Acaena'],['Acaena splendens'],6,3,7.5 2712,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],6,3,7.5 2713,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 2714,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,3,7.5 2715,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,3,7.5 2716,2801,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa taiwanensis,5523655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa taiwanensis'],6,3,7.5 2717,2800,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2718,2800,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 2719,2800,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 2720,2800,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 2721,2800,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 2722,2800,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 2723,2800,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2724,2800,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2725,2800,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 2726,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Sargentodoxa cuneata,639710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Lardizabalaceae'],['Unknown'],['Sargentodoxa'],['Sargentodoxa cuneata'],4,1,6.830777406692505 2727,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Isoplexis chalcantha,173921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Isoplexis'],['Isoplexis chalcantha'],4,1,6.830777406692505 2728,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Forsythia suspensa,249064.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Forsythieae'],['Forsythia'],['Forsythia suspensa'],4,1,6.830777406692505 2729,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Phlomis spinidens,6081327.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Phlomideae'],['Phlomis'],['Phlomis spinidens'],4,1,6.830777406692505 2730,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Epimedium diphyllum,749541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium diphyllum'],4,1,6.830777406692505 2731,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],4,1,6.830777406692505 2732,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Buddleja officinalis,129762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Buddlejeae'],['Buddleja'],['Buddleja officinalis'],4,1,6.830777406692505 2733,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Stachys byzantina,221882.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Stachys'],['Stachys byzantina'],4,1,6.830777406692505 2734,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,1,6.830777406692505 2735,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Penstemon acuminatus,34996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon acuminatus'],4,1,6.830777406692505 2736,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Cistanche phelypaea,675210.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Orobancheae'],['Cistanche'],['Cistanche phelypaea'],4,1,6.830777406692505 2737,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Cistanche tubulosa,368050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Orobancheae'],['Cistanche'],['Cistanche tubulosa'],4,1,6.830777406692505 2738,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Penstemon secundiflorus,673705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon secundiflorus'],4,1,6.830777406692505 2739,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Asystasia gangetica,540639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Justicieae'],['Asystasia'],['Asystasia gangetica'],4,1,6.830777406692505 2740,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Asystasia,1062445.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Justicieae'],['Asystasia'],['Unknown'],4,1,6.830777406692505 2741,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Epimedium grandiflorum,655264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium grandiflorum'],4,1,6.830777406692505 2742,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Campanula medium,112632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Campanula'],['Campanula medium'],4,1,6.830777406692505 2743,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix myrsinifolia,505755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix myrsinifolia'],4,1,6.830777406692505 2744,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix herbacea,895200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix herbacea'],4,1,6.830777406692505 2745,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Populus tremula,839584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Populus'],['Populus tremula'],4,1,6.830777406692505 2746,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],4,1,6.830777406692505 2747,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Millingtonia hortensis,1072482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Oroxyleae'],['Millingtonia'],['Millingtonia hortensis'],4,1,6.830777406692505 2748,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Digitalis chalcantha,173921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Isoplexis'],['Isoplexis chalcantha'],4,1,6.830777406692505 2749,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],4,1,6.830777406692505 2750,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Ligustrum lucidum,300838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Ligustrum'],['Ligustrum lucidum'],4,1,6.830777406692505 2751,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-PEBLQZBPSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13+,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Distylium racemosum,615343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Hamamelidaceae'],['Unknown'],['Distylium'],['Distylium racemosum'],4,1,6.830777406692505 2752,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fernandoa adenophylla,5921498.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Unknown'],['Fernandoa'],['Fernandoa adenophylla'],4,1,6.830777406692505 2753,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fernandoa,1031.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Unknown'],['Fernandoa'],['Unknown'],4,1,6.830777406692505 2754,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Campylanthus glaber,68974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Campylanthus'],['Campylanthus glaber'],4,1,6.830777406692505 2755,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fraxinus angustifolia,949520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus angustifolia'],4,1,6.830777406692505 2756,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Peucedanum japonicum,825756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Peucedanum'],['Peucedanum japonicum'],4,1,6.830777406692505 2757,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Phillyrea latifolia,558232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Phillyrea'],['Phillyrea latifolia'],4,1,6.830777406692505 2758,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Strychnos nux-vomica,125847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Loganiaceae'],['Unknown'],['Strychnos'],['Strychnos nux-vomica'],4,1,6.830777406692505 2759,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix lapponum,717152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix lapponum'],4,1,6.830777406692505 2760,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Olea europaea,23729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Olea'],['Olea europaea'],4,1,6.830777406692505 2761,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Scrophularia umbrosa,819696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia umbrosa'],4,1,6.830777406692505 2762,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Scrophularia oblongifolia,5232595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia alpestris'],4,1,6.830777406692505 2763,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Scrophularia alpestris,5232595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia alpestris'],4,1,6.830777406692505 2764,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Syringa reticulata,663556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Syringa'],['Syringa reticulata'],4,1,6.830777406692505 2765,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Inga feuillei,239873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Inga'],['Inga feuillei'],4,1,6.830777406692505 2766,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fraxinus excelsior,671802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus excelsior'],4,1,6.830777406692505 2767,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Volkameria inermis,907442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Volkameria'],['Volkameria inermis'],4,1,6.830777406692505 2768,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Clerodendrum,274806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Unknown'],4,1,6.830777406692505 2769,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Lamium galeobdolon,907333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Lamieae'],['Lamium'],['Lamium galeobdolon'],4,1,6.830777406692505 2770,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],4,1,6.830777406692505 2771,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Viburnum dilatatum,205155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum dilatatum'],4,1,6.830777406692505 2772,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix caprea,218600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix caprea'],4,1,6.830777406692505 2773,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix pentandra,738780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix pentandra'],4,1,6.830777406692505 2774,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Croton chilensis,958038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton chilensis'],4,1,6.830777406692505 2775,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Centaurea raphanina,262337.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea raphanina'],4,1,6.830777406692505 2776,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Centaurea urvillei,7613492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea urvillei'],4,1,6.830777406692505 2777,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Carica papaya,429474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Caricaceae'],['Unknown'],['Carica'],['Carica papaya'],4,1,6.830777406692505 2778,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fraxinus formosana,498392.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus formosana'],4,1,6.830777406692505 2779,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fraxinus griffithii,498394.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus griffithii'],4,1,6.830777406692505 2780,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola fastigiata,311052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola fastigiata'],4,1,6.830777406692505 2781,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Hypericum erectum,304180.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum erectum'],4,1,6.830777406692505 2782,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Aristolochia gehrtii,6028774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia gehrtii'],4,1,6.830777406692505 2783,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Aristolochia cucurbitifolia,708579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia cucurbitifolia'],4,1,6.830777406692505 2784,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola heterodonta,762829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola heterodonta'],4,1,6.830777406692505 2785,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Hydrangea chinensis,486966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea chinensis'],4,1,6.830777406692505 2786,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola sachalinensis,581648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola sachalinensis'],4,1,6.830777406692505 2787,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola rosea,914930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola rosea'],4,1,6.830777406692505 2788,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola subopposita,5729819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola subopposita'],4,1,6.830777406692505 2789,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola algida,526588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola algida'],4,1,6.830777406692505 2790,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola kirilowii,311039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola kirilowii'],4,1,6.830777406692505 2791,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola coccinea,5503321.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola coccinea'],4,1,6.830777406692505 2792,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola quadrifida,759840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola quadrifida'],4,1,6.830777406692505 2793,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola sacra,311049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola sacra'],4,1,6.830777406692505 2794,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola crenulata,1024602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola crenulata'],4,1,6.830777406692505 2795,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Ipomoea nil,77355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea nil'],4,1,6.830777406692505 2796,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix daphnoides,717164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix daphnoides'],4,1,6.830777406692505 2797,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fraxinus malacophylla,873157.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus malacophylla'],4,1,6.830777406692505 2798,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Scutellaria baicalensis,795166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria baicalensis'],4,1,6.830777406692505 2799,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix viminalis,458851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix viminalis'],4,1,6.830777406692505 2800,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix cinerea,717148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix cinerea'],4,1,6.830777406692505 2801,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix triandra,895184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix triandra'],4,1,6.830777406692505 2802,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix fragilis,895191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix fragilis'],4,1,6.830777406692505 2803,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix alba,164209.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix alba'],4,1,6.830777406692505 2804,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix babylonica,164204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix babylonica'],4,1,6.830777406692505 2805,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix phylicifolia,142970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix phylicifolia'],4,1,6.830777406692505 2806,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix purpurea,895197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix purpurea'],4,1,6.830777406692505 2807,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix arctica,775560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix arctica'],4,1,6.830777406692505 2808,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix eleagnos,696802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix elaeagnos'],4,1,6.830777406692505 2809,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix interior,738777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix interior'],4,1,6.830777406692505 2810,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix candida,72033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix candida'],4,1,6.830777406692505 2811,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rehmannia glutinosa,164453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Unknown'],['Rehmannia'],['Rehmannia glutinosa'],4,1,6.830777406692505 2812,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Pedicularis plicata,5232492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Pedicularideae'],['Pedicularis'],['Pedicularis plicata'],4,1,6.830777406692505 2813,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Plantago coronopus,989049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago coronopus'],4,1,6.830777406692505 2814,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Plantago australis,989047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago australis'],4,1,6.830777406692505 2815,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Peperomia leptostachya,600420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Peperomia'],['Peperomia leptostachya'],4,1,6.830777406692505 2816,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Peperomia humilis,3869108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Peperomia'],['Peperomia humilis'],4,1,6.830777406692505 2817,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Cistanche salsa,368049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Orobancheae'],['Cistanche'],['Cistanche salsa'],4,1,6.830777406692505 2818,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Syringa vulgaris,733236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Syringa'],['Syringa vulgaris'],4,1,6.830777406692505 2819,2798,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Polypremum procumbens,371364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Tetrachondraceae'],['Unknown'],['Polypremum'],['Polypremum procumbens'],4,1,6.830777406692505 2820,2792,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 2821,2792,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 2822,2792,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 2823,2792,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 2824,2791,106,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,UVBLDLGZDSGCSN-RUOWOPRNSA-N,"InChI=1S/C30H46O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-23,31H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,22+,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H46O3,pos_1_1proton,454.3446953319999,UVBLDLGZDSGCSN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 2825,2791,106,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,UVBLDLGZDSGCSN-RUOWOPRNSA-N,"InChI=1S/C30H46O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-23,31H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,22+,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H46O3,pos_1_1proton,454.3446953319999,UVBLDLGZDSGCSN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 2826,2790,749,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,JXTPJDDICSTXJX-UHFFFAOYSA-N,"InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,C30H62,pos_1_minus1proton2sodium,422.485151984,JXTPJDDICSTXJX,Fatty acids,Fatty acyls,Hydrocarbons,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,3,9.5 2827,2789,2,Fatty acids,Fatty amides,Fatty aldehydes,0.79439634,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,2,8.177585363388062 2828,2788,-1,,,,0.0,MS1_match,RHLLNTAZVZVMSG-FQKPHLNHSA-N,"InChI=1S/C15H22O5/c1-9(2)11-4-5-14(3)7-12-10(8-16)6-13(18-17)15(11,14)20-19-12/h6,8-9,11-13,17H,4-5,7H2,1-3H3/t11-,12+,13+,14-,15+/m1/s1",CC(C)[C@H]1CC[C@]2(C)C[C@@H]3OO[C@]12[C@@H](OO)C=C3C=O,C15H22O5,pos_1_1proton1methanol,282.146723804,RHLLNTAZVZVMSG,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 2829,2788,-1,,,,0.0,MS1_match,DIDYJHXLVGRDST-NUNXZZDCSA-N,"InChI=1S/C15H22O5/c1-8(2)10-4-5-14(3)7-11-9(13(17)18)6-12(16)15(10,14)20-19-11/h6,8,10-12,16H,4-5,7H2,1-3H3,(H,17,18)/t10-,11+,12+,14-,15+/m1/s1",CC(C)[C@H]1CC[C@]2(C)C[C@@H]3OO[C@]12[C@@H](O)C=C3C(=O)O,C15H22O5,pos_1_1proton1methanol,282.146723804,DIDYJHXLVGRDST,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 2830,2788,-1,,,,0.0,MS1_match,USJPIXZLBJXWSX-JVSQWTDWSA-N,"InChI=1S/C15H22O5/c1-8(2)10-4-5-14(3)7-11-9(13(17)18)6-12(16)15(14,19-10)20-11/h6,8,10-12,16H,4-5,7H2,1-3H3,(H,17,18)/t10-,11-,12-,14+,15-/m0/s1",CC(C)[C@@H]1CC[C@]2(C)C[C@@H]3O[C@@]2(O1)[C@@H](O)C=C3C(=O)O,C15H22O5,pos_1_1proton1methanol,282.146723804,USJPIXZLBJXWSX,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 2831,2788,-1,,,,0.0,MS1_match,BJASCOCBBQIWQW-JFYYGXDOSA-N,"InChI=1S/C15H22O5/c1-8(2)9-4-5-13(3)7-14(19)10(12(17)18)6-11(16)15(9,13)20-14/h6,8-9,11,16,19H,4-5,7H2,1-3H3,(H,17,18)/t9-,11+,13-,14+,15+/m1/s1",CC(C)[C@H]1CC[C@]2(C)C[C@]3(O)O[C@]12[C@@H](O)C=C3C(=O)O,C15H22O5,pos_1_1proton1methanol,282.146723804,BJASCOCBBQIWQW,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 2832,2787,453,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,MWGNJVCCJCKLGJ-UHFFFAOYSA-N,"InChI=1S/C30H36O10/c1-36-25-11-17(4-7-22(25)33)10-20-16-39-30(21(20)14-31)19-6-9-24(27(13-19)38-3)40-28(15-32)29(35)18-5-8-23(34)26(12-18)37-2/h4-9,11-13,20-21,28-35H,10,14-16H2,1-3H3",COc1cc(CC2COC(c3ccc(OC(CO)C(O)c4ccc(O)c(OC)c4)c(OC)c3)C2CO)ccc1O,C30H36O10,pos_1_1sodium,556.230847352,MWGNJVCCJCKLGJ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,3,8.5 2833,2787,453,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,MWGNJVCCJCKLGJ-UHFFFAOYSA-N,"InChI=1S/C30H36O10/c1-36-25-11-17(4-7-22(25)33)10-20-16-39-30(21(20)14-31)19-6-9-24(27(13-19)38-3)40-28(15-32)29(35)18-5-8-23(34)26(12-18)37-2/h4-9,11-13,20-21,28-35H,10,14-16H2,1-3H3",COc1cc(CC2COC(c3ccc(OC(CO)C(O)c4ccc(O)c(OC)c4)c(OC)c3)C2CO)ccc1O,C30H36O10,pos_1_1sodium,556.230847352,MWGNJVCCJCKLGJ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,3,8.5 2834,2786,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 2835,2786,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 2836,2786,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 2837,2786,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 2838,2786,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 2839,2785,-1,,,,0.6814834,ISDB,KXUMNEWSLYWWIA-AEBAWRHJSA-N,"InChI=1S/C15H16N2O4/c1-3-8-4-11-14(19)16-10-6-12(18)13(21-2)5-9(10)15(20)17(11)7-8/h3,5-6,11,18H,4,7H2,1-2H3,(H,16,19)/b8-3+/t11-/m0/s1",C/C=C1\C[C@H]2C(=O)Nc3cc(O)c(OC)cc3C(=O)N2C1,C15H16N2O4,,288.111006992,KXUMNEWSLYWWIA,Alkaloids,Anthranilic acid alkaloids,Benzodiazepine alkaloids,Streptomyces achromogenes,465362.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces achromogenes'],0,0,2.72593355178833 2840,2784,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2703074,ISDB,DFNMSBYEEKBETA-MMVMYLSVSA-N,"InChI=1S/C40H54O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-21,23-26,37,41H,15,22,27-28H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+/t37-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@H](O)CC2(C)C)C(C)(C)CCC1,C40H54O2,,566.412380968,DFNMSBYEEKBETA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Adonis annua,804994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis annua'],4,3,6.581229567527771 2841,2783,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,3,13.259337186813354 2842,2783,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,13.259337186813354 2843,2783,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,13.259337186813354 2844,2783,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],8,3,13.259337186813354 2845,2783,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,13.259337186813354 2846,2783,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,3,13.259337186813354 2847,2783,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,3,13.259337186813354 2848,2783,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,3,13.259337186813354 2849,2783,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,13.259337186813354 2850,2783,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,13.259337186813354 2851,2781,-1,,,,0.0,MS1_match,RHAUKLKHALHJDY-MKTDUQEUSA-N,"InChI=1S/C20H30O11/c1-9-13(21)15(23)17(25)19(30-9)29-8-12-14(22)16(24)18(26)20(31-12)28-7-10-3-5-11(27-2)6-4-10/h3-6,9,12-26H,7-8H2,1-2H3/t9-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1",COc1ccc(CO[C@H]2O[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1,C20H30O11,pos_1_1proton1acetonitrile,446.17881177999976,RHAUKLKHALHJDY,,,,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,0,6.0 2852,2781,-1,,,,0.0,MS1_match,RHAUKLKHALHJDY-MKTDUQEUSA-N,"InChI=1S/C20H30O11/c1-9-13(21)15(23)17(25)19(30-9)29-8-12-14(22)16(24)18(26)20(31-12)28-7-10-3-5-11(27-2)6-4-10/h3-6,9,12-26H,7-8H2,1-2H3/t9-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1",COc1ccc(CO[C@H]2O[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1,C20H30O11,pos_1_1proton1acetonitrile,446.17881177999976,RHAUKLKHALHJDY,,,,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,0,6.0 2853,2781,-1,,,,0.0,MS1_match,STTPJOGYSWZEII-LGJFGNOYSA-N,"InChI=1S/C20H30O11/c1-9-13(22)15(24)17(26)19(30-9)29-8-12-14(23)16(25)18(27)20(31-12)28-7-11(21)10-5-3-2-4-6-10/h2-6,9,11-27H,7-8H2,1H3/t9-,11-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OC[C@H](O)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C20H30O11,pos_1_1proton1acetonitrile,446.17881177999976,STTPJOGYSWZEII,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,0,6.0 2854,2781,-1,,,,0.0,MS1_match,STTPJOGYSWZEII-LGJFGNOYSA-N,"InChI=1S/C20H30O11/c1-9-13(22)15(24)17(26)19(30-9)29-8-12-14(23)16(25)18(27)20(31-12)28-7-11(21)10-5-3-2-4-6-10/h2-6,9,11-27H,7-8H2,1H3/t9-,11-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OC[C@H](O)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C20H30O11,pos_1_1proton1acetonitrile,446.17881177999976,STTPJOGYSWZEII,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,0,6.0 2855,2781,-1,,,,0.0,MS1_match,XEEBIXBFIAEQFZ-AJAJDKFCSA-N,"InChI=1S/C20H26O11/c21-8-11-14(23)17(26)19(29-11)28-9-12-15(24)16(25)18(27)20(30-12)31-13(22)7-6-10-4-2-1-3-5-10/h1-7,11-12,14-21,23-27H,8-9H2/b7-6+/t11-,12-,14+,15-,16+,17-,18-,19+,20+/m1/s1",O=C(/C=C/c1ccccc1)O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C20H26O11,pos_1_1proton1ethylamine,442.14751165199976,XEEBIXBFIAEQFZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria chiloensis,478620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria chiloensis'],6,0,6.0 2856,2781,-1,,,,0.0,MS1_match,XEEBIXBFIAEQFZ-AJAJDKFCSA-N,"InChI=1S/C20H26O11/c21-8-11-14(23)17(26)19(29-11)28-9-12-15(24)16(25)18(27)20(30-12)31-13(22)7-6-10-4-2-1-3-5-10/h1-7,11-12,14-21,23-27H,8-9H2/b7-6+/t11-,12-,14+,15-,16+,17-,18-,19+,20+/m1/s1",O=C(/C=C/c1ccccc1)O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C20H26O11,pos_1_1proton1ethylamine,442.14751165199976,XEEBIXBFIAEQFZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria chiloensis,478620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria chiloensis'],6,0,6.0 2857,2779,82,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.0,MS1_match,AFZMICRBFKZNIH-UHFFFAOYSA-N,"InChI=1S/C9H18O3/c10-8-6-4-2-1-3-5-7-9(11)12/h10H,1-8H2,(H,11,12)",O=C(O)CCCCCCCCO,C9H18O3,pos_2MHNH3,174.125594436,AFZMICRBFKZNIH,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 2858,2778,438,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,DIXPDWXERFUNQD-CIQGJBQPSA-N,"InChI=1S/C32H50O6/c1-18-9-14-32(27(34)35)16-15-30(7)21(25(32)19(18)2)17-22(38-36)26-29(6)12-11-24(37-20(3)33)28(4,5)23(29)10-13-31(26,30)8/h17-19,22-26,36H,9-16H2,1-8H3,(H,34,35)/t18-,19+,22-,23-,24+,25-,26-,29+,30-,31-,32+/m1/s1",CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H](OO)C=C2[C@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C,C32H50O6,pos_1_1proton2acetonitrile,530.36073932,DIXPDWXERFUNQD,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],7,3,8.5 2859,2777,781,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,RQWXHGLRDYGNGZ-BPKREVGBSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_1_minus1proton1iron,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 2860,2777,781,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,RQWXHGLRDYGNGZ-BPKREVGBSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_1_minus1proton1iron,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 2861,2776,419,Terpenoids,Apocarotenoids,Megastigmanes,0.5579399,ISDB,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,9.731759548187256 2862,2776,419,Terpenoids,Apocarotenoids,Megastigmanes,0.5579399,ISDB,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,9.731759548187256 2863,2776,419,Terpenoids,Apocarotenoids,Megastigmanes,0.5579399,ISDB,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,9.731759548187256 2864,2776,419,Terpenoids,Apocarotenoids,Megastigmanes,0.5579399,ISDB,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,3,9.731759548187256 2865,2776,419,Terpenoids,Apocarotenoids,Megastigmanes,0.5579399,ISDB,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,9.731759548187256 2866,2776,419,Terpenoids,Apocarotenoids,Megastigmanes,0.5579399,ISDB,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,3,9.731759548187256 2867,2776,419,Terpenoids,Apocarotenoids,Megastigmanes,0.5579399,ISDB,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,9.731759548187256 2868,2776,419,Terpenoids,Apocarotenoids,Megastigmanes,0.5579399,ISDB,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,9.731759548187256 2869,2776,419,Terpenoids,Apocarotenoids,Megastigmanes,0.5579399,ISDB,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,3,9.731759548187256 2870,2775,678,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XZRJEYQBLXDNNU-BFFMHGNPSA-N,"InChI=1S/C19H34O9/c1-10(27-16-15(24)14(23)13(22)12(9-20)28-16)5-6-19(26)17(2,3)7-11(21)8-18(19,4)25/h5-6,10-16,20-26H,7-9H2,1-4H3/b6-5+/t10-,11+,12+,13+,14-,15+,16+,18-,19-/m0/s1",C[C@@H](/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O9,pos_1_1sodium,406.220282668,XZRJEYQBLXDNNU,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,7.5 2871,2773,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1sodium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 2872,2773,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1sodium,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 2873,2773,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 2874,2773,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1sodium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 2875,2773,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 2876,2770,279,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,STTPJOGYSWZEII-LGJFGNOYSA-N,"InChI=1S/C20H30O11/c1-9-13(22)15(24)17(26)19(30-9)29-8-12-14(23)16(25)18(27)20(31-12)28-7-11(21)10-5-3-2-4-6-10/h2-6,9,11-27H,7-8H2,1H3/t9-,11-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OC[C@H](O)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C20H30O11,pos_1_1proton1ethylamine,446.17881177999976,STTPJOGYSWZEII,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,3,7.5 2877,2770,279,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,STTPJOGYSWZEII-LGJFGNOYSA-N,"InChI=1S/C20H30O11/c1-9-13(22)15(24)17(26)19(30-9)29-8-12-14(23)16(25)18(27)20(31-12)28-7-11(21)10-5-3-2-4-6-10/h2-6,9,11-27H,7-8H2,1H3/t9-,11-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OC[C@H](O)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C20H30O11,pos_1_1proton1ethylamine,446.17881177999976,STTPJOGYSWZEII,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,3,7.5 2878,2768,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2703074,ISDB,DFNMSBYEEKBETA-MMVMYLSVSA-N,"InChI=1S/C40H54O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-21,23-26,37,41H,15,22,27-28H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+/t37-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@H](O)CC2(C)C)C(C)(C)CCC1,C40H54O2,,566.412380968,DFNMSBYEEKBETA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Adonis annua,804994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis annua'],4,3,6.581229567527771 2879,2767,778,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,1,8.5 2880,2767,778,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,1,8.5 2881,2766,166,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,VHQQPFLOGSTQPC-UHFFFAOYSA-N,"InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,C35H72,pos_1_minus1proton2sodium,492.563402304,VHQQPFLOGSTQPC,Fatty acids,Fatty acyls,Hydrocarbons,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],6,3,7.5 2882,2766,166,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,VHQQPFLOGSTQPC-UHFFFAOYSA-N,"InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,C35H72,pos_1_minus1proton2sodium,492.563402304,VHQQPFLOGSTQPC,Fatty acids,Fatty acyls,Hydrocarbons,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],6,3,7.5 2883,2764,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,POIARNZEYGURDG-UHFFFAOYSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3",CC=CC(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2884,2763,-1,,,,0.28714478,ISDB,CUWYYGBRYUJROZ-POEQRLLMSA-N,"InChI=1S/C45H38O17/c46-19-5-1-16(2-6-19)42-39(58)37(33-27(53)11-20(47)12-32(33)60-42)35-29(55)15-30(56)36-38(40(59)43(62-45(35)36)18-4-8-23(49)26(52)10-18)34-28(54)14-24(50)21-13-31(57)41(61-44(21)34)17-3-7-22(48)25(51)9-17/h1-12,14-15,31,37-43,46-59H,13H2/t31-,37+,38-,39+,40+,41+,42+,43+/m0/s1",Oc1ccc([C@H]2Oc3cc(O)cc(O)c3[C@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)[C@H]4c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@@H](O)C4)[C@H]2O)cc1,C45H38O17,,850.210899756,CUWYYGBRYUJROZ,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Ziziphus jujuba,73483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus jujuba'],5,0,6.148579120635986 2885,2761,431,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,PIJHQWMTZXDYER-JOZSIVFUSA-N,"InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18+,19-,20+,21+/m0/s1",O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O9,pos_1_1sodium,416.11073222,PIJHQWMTZXDYER,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2886,2761,431,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,PIJHQWMTZXDYER-JOZSIVFUSA-N,"InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18+,19-,20+,21+/m0/s1",O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O9,pos_1_1sodium,416.11073222,PIJHQWMTZXDYER,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 2887,2761,431,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,PIJHQWMTZXDYER-JOZSIVFUSA-N,"InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18+,19-,20+,21+/m0/s1",O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O9,pos_1_1sodium,416.11073222,PIJHQWMTZXDYER,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 2888,2761,431,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,IRHAYEHCEVRWSB-QNDFHXLGSA-N,"InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccccc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O9,pos_1_1sodium,416.11073222,IRHAYEHCEVRWSB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Docynia doumeri,896368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus doumeri'],8,3,9.5 2889,2761,431,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,IRHAYEHCEVRWSB-QNDFHXLGSA-N,"InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccccc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O9,pos_1_1sodium,416.11073222,IRHAYEHCEVRWSB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Malus doumeri,896368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus doumeri'],8,3,9.5 2890,2760,-1,,,,0.0,MS1_match,OBTPWWYCOCQFNN-KEQDCMCXSA-N,"InChI=1S/C39H50O25/c40-6-14-21(46)25(50)31(56)38(61-14)63-33-16(8-42)59-36(29(54)27(33)52)19-23(48)18-12(45)5-13(10-1-3-11(44)4-2-10)58-35(18)20(24(19)49)37-30(55)28(53)34(17(9-43)60-37)64-39-32(57)26(51)22(47)15(7-41)62-39/h1-5,14-17,21-22,25-34,36-44,46-57H,6-9H2/t14-,15-,16-,17-,21-,22-,25+,26+,27-,28-,29-,30-,31-,32-,33-,34-,36+,37+,38+,39+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c(O)c12,C39H50O25,pos_2_1calcium,918.2641171,OBTPWWYCOCQFNN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cotoneaster orbicularis,3903052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster orbicularis'],7,0,7.0 2891,2759,-1,,,,0.0,MS1_match,RAFHNDRXYHOLSH-SFTVRKLSSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O11,pos_1_1sodium,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 2892,2759,-1,,,,0.0,MS1_match,RAFHNDRXYHOLSH-SFTVRKLSSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O11,pos_1_1sodium,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 2893,2759,-1,,,,0.0,MS1_match,RAFHNDRXYHOLSH-SFTVRKLSSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O11,pos_1_1sodium,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 2894,2758,208,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.36312255,ISDB,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,10.452490210533142 2895,2757,159,Shikimates and Phenylpropanoids,Nucleosides,Isocoumarins,0.0,MS1_match,BBOCDRLDMQHWJP-WOUKDFQISA-N,"InChI=1S/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)/t6-,8-,9-,12-/m1/s1",OCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,C12H17N5O5,pos_1_minus1proton2sodium,311.122968644,BBOCDRLDMQHWJP,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,2,8.0 2896,2755,-1,,,,0.0,MS1_match,FHEBKVQDISXEGI-CGYPZKEQSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h7,10,20-21,24-33,36-39H,8-9,11-19H2,1-6H3/b22-7-/t21-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_1_minus1proton2sodium,574.423339576,FHEBKVQDISXEGI,Terpenoids,Steroids,Stigmastane steroids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 2897,2755,-1,,,,0.0,MS1_match,FHEBKVQDISXEGI-CGYPZKEQSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h7,10,20-21,24-33,36-39H,8-9,11-19H2,1-6H3/b22-7-/t21-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_1_minus1proton2sodium,574.423339576,FHEBKVQDISXEGI,Terpenoids,Steroids,Stigmastane steroids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 2898,2754,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2899,2754,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 2900,2754,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 2901,2754,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 2902,2754,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2903,2754,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 2904,2754,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 2905,2754,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 2906,2754,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2907,2753,-1,,,,0.0,MS1_match,IFYOHQQBIKDHFT-ASZXTAQUSA-O,"InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-27,31-36H,9H2,1H3,(H2-,28,29,30)/p+1/t10-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O14+,pos_2MMg,579.1708320920898,IFYOHQQBIKDHFT,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,0,7.0 2908,2753,-1,,,,0.0,MS1_match,IFYOHQQBIKDHFT-ASZXTAQUSA-O,"InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-27,31-36H,9H2,1H3,(H2-,28,29,30)/p+1/t10-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O14+,pos_2MMg,579.1708320920898,IFYOHQQBIKDHFT,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,0,7.0 2909,2749,-1,,,,0.0,MS1_match,WPYMKLBDIGXBTP-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",O=C(O)c1ccccc1,C7H6O2,pos_1_1proton,122.036779432,WPYMKLBDIGXBTP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 2910,2749,-1,,,,0.0,MS1_match,PDHAOJSHSJQANO-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)cc2O)c1,C14H12O4,pos_2_2proton,244.073558864,PDHAOJSHSJQANO,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 2911,2749,-1,,,,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_2_2proton,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 2912,2749,-1,,,,0.0,MS1_match,WPYMKLBDIGXBTP-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",O=C(O)c1ccccc1,C7H6O2,pos_1_1proton,122.036779432,WPYMKLBDIGXBTP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 2913,2749,-1,,,,0.0,MS1_match,WPYMKLBDIGXBTP-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",O=C(O)c1ccccc1,C7H6O2,pos_1_1proton,122.036779432,WPYMKLBDIGXBTP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 2914,2749,-1,,,,0.0,MS1_match,SMQUZDBALVYZAC-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H",O=Cc1ccccc1O,C7H6O2,pos_1_1proton,122.036779432,SMQUZDBALVYZAC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 2915,2749,-1,,,,0.0,MS1_match,WPYMKLBDIGXBTP-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",O=C(O)c1ccccc1,C7H6O2,pos_1_1proton,122.036779432,WPYMKLBDIGXBTP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 2916,2749,-1,,,,0.0,MS1_match,WPYMKLBDIGXBTP-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",O=C(O)c1ccccc1,C7H6O2,pos_1_1proton,122.036779432,WPYMKLBDIGXBTP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 2917,2747,340,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,UCTWMZQNUQWSLP-VIFPVBQESA-N,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1",CNC[C@H](O)c1ccc(O)c(O)c1,C9H13NO3,pos_1_1proton1ethylamine,183.089543276,UCTWMZQNUQWSLP,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 2918,2747,340,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,UCTWMZQNUQWSLP-VIFPVBQESA-N,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1",CNC[C@H](O)c1ccc(O)c(O)c1,C9H13NO3,pos_1_1proton1ethylamine,183.089543276,UCTWMZQNUQWSLP,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],7,0,7.0 2919,2746,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Otanthus maritimus,195139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Otanthus'],['Otanthus maritimus'],4,1,6.057331204414368 2920,2746,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea nana,395148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea nana'],4,1,6.057331204414368 2921,2746,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,6.057331204414368 2922,2746,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea maritima,869832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea maritima'],4,1,6.057331204414368 2923,2746,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea formosa,4416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea formosa'],4,1,6.057331204414368 2924,2746,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper formosum,6030745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper formosum'],4,1,6.057331204414368 2925,2746,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Leucocyclus formosus,616330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Leucocyclus'],['Leucocyclus formosus'],4,1,6.057331204414368 2926,2746,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-UHFFFAOYSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)",CCCCCC=CCCC=CC=CC(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,6.057331204414368 2927,2746,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum petiolare,5747734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum petiolare'],4,1,6.057331204414368 2928,2745,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,VTKHRLZMWODHJA-GAZXPUAESA-N,"InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)29)24-16(12-35-26-23(32)22(31)21(30)20(11-28)36-26)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,20-,21-,22+,23-,24+,26-/m1/s1",COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H34O11,pos_1_1proton1ammonium,522.210111908,VTKHRLZMWODHJA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2929,2745,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,VTKHRLZMWODHJA-GAZXPUAESA-N,"InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)29)24-16(12-35-26-23(32)22(31)21(30)20(11-28)36-26)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,20-,21-,22+,23-,24+,26-/m1/s1",COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H34O11,pos_1_1proton1ammonium,522.210111908,VTKHRLZMWODHJA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2930,2741,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2931,2741,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 2932,2741,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 2933,2741,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 2934,2741,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2935,2741,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 2936,2741,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 2937,2741,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 2938,2741,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2939,2736,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.3602613,ISDB,KCYOZNARADAZIZ-GZIUEBSLSA-N,"InChI=1S/C40H56O3/c1-28(18-13-20-30(3)33-24-35-37(5,6)22-15-23-39(35,9)42-33)16-11-12-17-29(2)19-14-21-31(4)34-25-36-38(7,8)26-32(41)27-40(36,10)43-34/h11-14,16-21,24-25,32-34,41H,15,22-23,26-27H2,1-10H3/b12-11+,18-13+,19-14+,28-16+,29-17+,30-20+,31-21+/t32-,33+,34+,39-,40+/m1/s1",CC(/C=C/C=C(\C)[C@@H]1C=C2C(C)(C)CCC[C@@]2(C)O1)=C\C=C\C=C(C)\C=C\C=C(/C)[C@@H]1C=C2C(C)(C)C[C@@H](O)C[C@]2(C)O1,C40H56O3,,584.422945652,KCYOZNARADAZIZ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,10.94104516506195 2940,2733,338,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_2MNa,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 2941,2733,338,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_2MNa,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 2942,2733,338,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_2MNa,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 2943,2733,338,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_2MNa,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 2944,2733,338,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_2MNa,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 2945,2733,338,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_2MNa,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 2946,2731,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JDEJUHBDYJVLND-UHFFFAOYSA-N,"InChI=1S/C20H23NO9/c21-8-7-13(10-28-16(24)6-3-12-1-4-14(23)5-2-12)11-29-20-19(27)18(26)17(25)15(9-22)30-20/h1-7,15,17-20,22-23,25-27H,9-11H2",N#CC=C(COC(=O)C=Cc1ccc(O)cc1)COC1OC(CO)C(O)C(O)C1O,C20H23NO9,pos_2MFe,421.137281316,JDEJUHBDYJVLND,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sorbaria sorbifolia,873712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sorbarieae'],['Sorbaria'],['Sorbaria sorbifolia'],6,1,6.5 2947,2731,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JDEJUHBDYJVLND-UHFFFAOYSA-N,"InChI=1S/C20H23NO9/c21-8-7-13(10-28-16(24)6-3-12-1-4-14(23)5-2-12)11-29-20-19(27)18(26)17(25)15(9-22)30-20/h1-7,15,17-20,22-23,25-27H,9-11H2",N#CC=C(COC(=O)C=Cc1ccc(O)cc1)COC1OC(CO)C(O)C(O)C1O,C20H23NO9,pos_2MFe,421.137281316,JDEJUHBDYJVLND,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sorbaria sorbifolia var. stellipila,22223.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sorbarieae'],['Sorbaria'],['Sorbaria sorbifolia'],6,1,6.5 2948,2730,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,OXVUXGFZHDKYLS-BLIWDXROSA-N,"InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O5,pos_1_1sodium,488.3501746359999,OXVUXGFZHDKYLS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 2949,2730,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 2950,2730,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 2951,2730,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 2952,2730,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 2953,2730,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 2954,2730,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 2955,2730,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 2956,2730,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 2957,2730,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,3,9.5 2958,2730,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,3,9.5 2959,2730,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 2960,2730,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,OXVUXGFZHDKYLS-BLIWDXROSA-N,"InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O5,pos_1_1sodium,488.3501746359999,OXVUXGFZHDKYLS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 2961,2730,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 2962,2729,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 2963,2729,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 2964,2729,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 2965,2729,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 2966,2728,124,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.39250714,ISDB,HBZNVZIRJWODIB-NHCUFCNUSA-N,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN,C39H74NO8P,,715.515204958,HBZNVZIRJWODIB,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,7.07002854347229 2967,2728,124,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.39250714,ISDB,HBZNVZIRJWODIB-NHCUFCNUSA-N,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN,C39H74NO8P,,715.515204958,HBZNVZIRJWODIB,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Lycoris incarnata,992964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Lycoris'],['Lycoris incarnata'],4,3,7.07002854347229 2968,2727,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 2969,2727,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 2970,2727,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_1_1proton,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 2971,2725,483,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,MOEVEIGHSLNJAI-RRXMTBKISA-N,"InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,21,23,25-29H,2,8,12-19H2,1,3-7H3/b10-9+/t21-,23+,25+,26+,27-,28+,29+,30+,31-/m1/s1",C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)CC,C31H48O2,pos_1_minus1proton1iron,452.365430776,MOEVEIGHSLNJAI,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 2972,2724,957,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XZRJEYQBLXDNNU-BFFMHGNPSA-N,"InChI=1S/C19H34O9/c1-10(27-16-15(24)14(23)13(22)12(9-20)28-16)5-6-19(26)17(2,3)7-11(21)8-18(19,4)25/h5-6,10-16,20-26H,7-9H2,1-4H3/b6-5+/t10-,11+,12+,13+,14-,15+,16+,18-,19-/m0/s1",C[C@@H](/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O9,pos_1_1sodium,406.220282668,XZRJEYQBLXDNNU,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 2973,2723,956,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,WWRCMNKATXZARA-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3",Cc1ccccc1C(C)C,C10H14,pos_1_1proton,134.109550448,WWRCMNKATXZARA,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2974,2721,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.0,MS1_match,JAZBEHYOTPTENJ-UHFFFAOYSA-N,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O,C20H30O2,pos_1_1proton1methanol,302.2245802,JAZBEHYOTPTENJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,3,8.5 2975,2718,731,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1proton1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2976,2718,731,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,DTOSIQBPPRVQHS-UHFFFAOYSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)",CCC=CCC=CCC=CCCCCCCCC(=O)O,C18H30O2,pos_1_1proton1ammonium,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2977,2718,731,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_1proton1ammonium,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 2978,2718,731,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1proton1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 2979,2717,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1potassium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 2980,2717,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1potassium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 2981,2716,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 2982,2716,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 2983,2716,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 2984,2714,318,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,UVBLDLGZDSGCSN-RUOWOPRNSA-N,"InChI=1S/C30H46O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-23,31H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,22+,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H46O3,pos_1_1proton,454.3446953319999,UVBLDLGZDSGCSN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 2985,2714,318,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,UVBLDLGZDSGCSN-RUOWOPRNSA-N,"InChI=1S/C30H46O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-23,31H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,22+,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H46O3,pos_1_1proton,454.3446953319999,UVBLDLGZDSGCSN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 2986,2713,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7061656,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,1,11.324662446975708 2987,2713,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7061656,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,11.324662446975708 2988,2713,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7061656,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,11.324662446975708 2989,2712,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.45881867,ISDB,AUASPLXQOHHJLG-ILXRZTDVSA-N,"InChI=1S/C15H24O/c1-11(2)13-7-9-15(3)8-6-12(10-16)4-5-14(13)15/h6,13-14,16H,1,4-5,7-10H2,2-3H3/t13-,14+,15+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)CC=C(CO)CC[C@@H]12,C15H24O,,220.182715388,AUASPLXQOHHJLG,Terpenoids,Sesquiterpenoids,Isodaucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,2,8.835274696350098 2990,2711,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,FXFHFOSEURHWMO-HHTZHRADSA-N,"InChI=1S/C37H50O20/c1-16-26(42)28(44)31(47)37(53-16)57-34-32(48)36(51-11-10-18-5-8-21(49-2)20(40)12-18)55-24(15-52-35-30(46)29(45)27(43)23(14-38)54-35)33(34)56-25(41)9-6-17-4-7-19(39)22(13-17)50-3/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3/b9-6+/t16-,23+,24+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,36+,37-/m0/s1",COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O,C37H50O20,pos_2_2sodium,814.289544,FXFHFOSEURHWMO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,1,7.5 2991,2711,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,FXFHFOSEURHWMO-HHTZHRADSA-N,"InChI=1S/C37H50O20/c1-16-26(42)28(44)31(47)37(53-16)57-34-32(48)36(51-11-10-18-5-8-21(49-2)20(40)12-18)55-24(15-52-35-30(46)29(45)27(43)23(14-38)54-35)33(34)56-25(41)9-6-17-4-7-19(39)22(13-17)50-3/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3/b9-6+/t16-,23+,24+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,36+,37-/m0/s1",COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O,C37H50O20,pos_2_2sodium,814.289544,FXFHFOSEURHWMO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,1,7.5 2992,2710,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1sodium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],6,3,7.5 2993,2710,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1sodium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 2994,2710,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1sodium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 2995,2705,-1,,,,0.0,MS1_match,FWHJRKHBZLMKQW-DZLOKQDQSA-N,"InChI=1S/C16H20O9/c1-25-12-6-8(2-4-9(12)18)3-5-10(19)13(21)15(23)16(24)14(22)11(20)7-17/h2-6,11,14-18,20,22-24H,7H2,1H3/b5-3+/t11-,14-,15+,16+/m1/s1",COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H20O9,pos_1_1sodium,356.1107322199999,FWHJRKHBZLMKQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 2996,2705,-1,,,,0.0,MS1_match,ADHNTNYEJYJUCU-ZSJFXSENSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-15-14(21)13(20)11(7-17)24-16(15)22/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16?/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O,C16H20O9,pos_1_1sodium,356.11073222,ADHNTNYEJYJUCU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 2997,2704,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_1_1sodium,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 2998,2704,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_1_1sodium,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 2999,2704,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_1_1sodium,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 3000,2704,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_1_1sodium,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 3001,2704,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_1_1sodium,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 3002,2702,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.38001853,ISDB,KUODBSWFMJMVJV-AVFWISQGSA-N,"InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)29-27(39)26(24-20(36)8-15(32)9-23(24)40-29)25-21(37)11-18(34)16-10-22(38)28(41-30(16)25)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2/t22-,26-,27-,28+,29+/m0/s1",Oc1ccc([C@H]2Oc3cc(O)cc(O)c3[C@@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@@H](O)C4)[C@@H]2O)cc1,C30H26O11,,562.147511652,KUODBSWFMJMVJV,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],8,3,11.020074129104614 3003,2701,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GDVRUDXLQBVIKP-UHFFFAOYSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2",O=C(OC1OC(CO)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton1acetonitrile,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 3004,2701,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUUSOIOWAGMHTM-HSQZMIOISA-N,"InChI=1S/C13H16O10/c14-3-6-9(18)10(19)11(20)13(22-6)23-12(21)4-1-2-5(15)8(17)7(4)16/h1-2,6,9-11,13-20H,3H2/t6-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)c(O)c1O,C13H16O10,pos_1_1proton1acetonitrile,332.074346712,FUUSOIOWAGMHTM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,1,8.5 3005,2700,576,Amino acids and Peptides,Apocarotenoids,Aminoacids,0.0,MS1_match,XZRJEYQBLXDNNU-BFFMHGNPSA-N,"InChI=1S/C19H34O9/c1-10(27-16-15(24)14(23)13(22)12(9-20)28-16)5-6-19(26)17(2,3)7-11(21)8-18(19,4)25/h5-6,10-16,20-26H,7-9H2,1-4H3/b6-5+/t10-,11+,12+,13+,14-,15+,16+,18-,19-/m0/s1",C[C@@H](/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O9,pos_1_1sodium,406.220282668,XZRJEYQBLXDNNU,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,2,8.0 3006,2699,161,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.923728,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morus australis,210689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus australis'],5,3,10.19491195678711 3007,2699,161,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.923728,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morus bombycis,210686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus bombycis'],5,3,10.19491195678711 3008,2699,161,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.923728,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],5,3,10.19491195678711 3009,2699,161,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.923728,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morus indica,307703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus indica'],5,3,10.19491195678711 3010,2696,124,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.3596669,ISDB,HBZNVZIRJWODIB-NHCUFCNUSA-N,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN,C39H74NO8P,,715.515204958,HBZNVZIRJWODIB,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,6.93866765499115 3011,2696,124,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.3596669,ISDB,HBZNVZIRJWODIB-NHCUFCNUSA-N,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN,C39H74NO8P,,715.515204958,HBZNVZIRJWODIB,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Lycoris incarnata,992964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Lycoris'],['Lycoris incarnata'],4,3,6.93866765499115 3012,2694,79,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KKLWTTVTWMTNBP-KYXYLJOWSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H22O10,pos_1_1sodium,386.1212969039999,KKLWTTVTWMTNBP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,8.5 3013,2694,79,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KKLWTTVTWMTNBP-KYXYLJOWSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H22O10,pos_1_1sodium,386.1212969039999,KKLWTTVTWMTNBP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 3014,2693,-1,,,,0.0,MS1_match,JMQNCNOQIYLMHF-YKGOFEKOSA-N,"InChI=1S/C29H40O4/c1-16-7-8-18-11-13-27(4)19(23(18)17(16)2)9-10-21-26(3)15-20(30)24(31)29(6,25(32)33)22(26)12-14-28(21,27)5/h7-9,20-22,24,30-31H,10-15H2,1-6H3,(H,32,33)/t20-,21+,22-,24+,26-,27-,28-,29+/m1/s1",Cc1ccc2c(c1C)C1=CC[C@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C29H40O4,pos_2MMg,452.29265976,JMQNCNOQIYLMHF,Terpenoids,Triterpenoids,,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 3015,2690,206,,,,0.4539156,ISDB,,,,,,,ZDBLXLQFRZTIIU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8156623840332031 3016,2688,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,1,7.5 3017,2688,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],7,1,7.5 3018,2688,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],7,1,7.5 3019,2688,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,1,7.5 3020,2688,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],7,1,7.5 3021,2688,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],7,1,7.5 3022,2688,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,1,7.5 3023,2688,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],7,1,7.5 3024,2688,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],7,1,7.5 3025,2686,-1,,,,0.0,MS1_match,JSHLJKSNROBZCN-GKSSWXCNSA-N,"InChI=1S/C30H26O10/c31-15-4-1-13(2-5-15)29-27(38)25(17-7-6-16(32)10-24(17)39-29)26-22(36)12-20(34)18-11-23(37)28(40-30(18)26)14-3-8-19(33)21(35)9-14/h1-10,12,23,25,27-29,31-38H,11H2/t23-,25-,27-,28-,29-/m1/s1",Oc1ccc([C@H]2Oc3cc(O)ccc3[C@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)[C@H]2O)cc1,C30H26O10,pos_2_2sodium,546.1525970319999,JSHLJKSNROBZCN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 3026,2686,-1,,,,0.0,MS1_match,JSHLJKSNROBZCN-GKSSWXCNSA-N,"InChI=1S/C30H26O10/c31-15-4-1-13(2-5-15)29-27(38)25(17-7-6-16(32)10-24(17)39-29)26-22(36)12-20(34)18-11-23(37)28(40-30(18)26)14-3-8-19(33)21(35)9-14/h1-10,12,23,25,27-29,31-38H,11H2/t23-,25-,27-,28-,29-/m1/s1",Oc1ccc([C@H]2Oc3cc(O)ccc3[C@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)[C@H]2O)cc1,C30H26O10,pos_2_2sodium,546.1525970319999,JSHLJKSNROBZCN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 3027,2685,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3028,2685,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 3029,2685,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3030,2685,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 3031,2685,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 3032,2682,-1,,,,0.0,MS1_match,AOGQPLXWSUTHQB-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3",CCCCCCOC(C)=O,C8H16O2,pos_2MHCH3CN,144.115029752,AOGQPLXWSUTHQB,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3033,2679,179,Terpenoids,Apocarotenoids,Megastigmanes,0.5513808,ISDB,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,12.705523252487183 3034,2679,179,Terpenoids,Apocarotenoids,Megastigmanes,0.5513808,ISDB,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,12.705523252487183 3035,2677,-1,,,,0.0,MS1_match,FDRQPMVGJOQVTL-BZARIISDSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton2acetonitrile,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hedlundia thuringiaca,3903561.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus x thuringiaca'],7,0,7.0 3036,2677,-1,,,,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton2acetonitrile,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus intermedia,317926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus intermedia'],7,0,7.0 3037,2677,-1,,,,0.0,MS1_match,RDUAJIJVNHKTQC-UHFFFAOYSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2",O=c1c(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton2acetonitrile,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eriobotrya,155169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Unknown'],7,0,7.0 3038,2677,-1,,,,0.0,MS1_match,RDUAJIJVNHKTQC-UHFFFAOYSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2",O=c1c(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton2acetonitrile,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhaphiolepis,316555.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Rhaphiolepis'],['Unknown'],7,0,7.0 3039,2677,-1,,,,0.0,MS1_match,RDUAJIJVNHKTQC-PPJSKWKESA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15+,17-,18-,20+,21-,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton2acetonitrile,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 3040,2676,674,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,FELCJAPFJOPHSD-ROUWMTJPSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,pos_1_1proton,440.365430776,FELCJAPFJOPHSD,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 3041,2676,674,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,FELCJAPFJOPHSD-ROUWMTJPSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,pos_1_1proton,440.365430776,FELCJAPFJOPHSD,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 3042,2675,-1,,,,0.42984545,ISDB,YIOUPFBHICGXGU-VLXASLQNSA-N,"InChI=1S/C18H31NO/c1-5-6-7-8-9-10-11-12-13-17-14-15-18(20-4)16(2)19(17)3/h8-13,16-18H,5-7,14-15H2,1-4H3/b9-8+,11-10+,13-12+/t16-,17+,18-/m1/s1",CCCC/C=C/C=C/C=C/[C@H]1CC[C@@H](OC)[C@@H](C)N1C,C18H31NO,,277.240564612,YIOUPFBHICGXGU,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Microcos paniculata,151053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Grewieae'],['Microcos'],['Microcos paniculata'],4,0,5.719381809234619 3043,2674,674,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,FELCJAPFJOPHSD-ROUWMTJPSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,pos_1_1proton,440.365430776,FELCJAPFJOPHSD,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 3044,2674,674,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,FELCJAPFJOPHSD-ROUWMTJPSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,pos_1_1proton,440.365430776,FELCJAPFJOPHSD,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 3045,2671,321,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.87834436,ISDB,ZALWWUJLKFBCQF-UHFFFAOYSA-N,"InChI=1S/C27H28O15/c1-27(38,8-17(31)32)9-18(33)39-10-16-20(34)22(36)23(37)26(41-16)42-25-21(35)19-14(30)6-13(29)7-15(19)40-24(25)11-2-4-12(28)5-3-11/h2-7,16,20,22-23,26,28-30,34,36-38H,8-10H2,1H3,(H,31,32)",CC(O)(CC(=O)O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C27H28O15,,592.142820196,ZALWWUJLKFBCQF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Citrus aurantifolia,3942427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus aurantiifolia'],4,3,9.01337742805481 3046,2670,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HXFCTKKFLJMYHC-UHFFFAOYSA-N,"InChI=1S/C13H10O9/c1-20-4-3-5(14)22-10-6(4)7(12(16)17)8(13(18)19)9(15)11(10)21-2/h3,15H,1-2H3,(H,16,17)(H,18,19)",COc1c(O)c(C(=O)O)c(C(=O)O)c2c(OC)cc(=O)oc12,C13H10O9,pos_1_1proton1ethylamine,310.0324819,HXFCTKKFLJMYHC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),,Sanguisorba minor,894082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba minor'],6,1,6.5 3047,2669,-1,,,,0.0,MS1_match,YCBSMEKEDOHEQI-QHQGJMPNSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 3048,2669,-1,,,,0.0,MS1_match,YCBSMEKEDOHEQI-PBHOCJRSSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23+,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.37599546,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Kageneckia oblonga,616590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Kageneckia'],['Kageneckia oblonga'],7,0,7.0 3049,2669,-1,,,,0.0,MS1_match,YCBSMEKEDOHEQI-QHQGJMPNSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 3050,2669,-1,,,,0.0,MS1_match,YCBSMEKEDOHEQI-PBHOCJRSSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23+,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.37599546,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Kageneckia oblonga,616590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Kageneckia'],['Kageneckia oblonga'],7,0,7.0 3051,2669,-1,,,,0.0,MS1_match,ZOFPRQJBCAHQCG-RBJUHRAPSA-N,"InChI=1S/C31H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31(33)34-28-21-22-29-24-26-30(32)27-25-29/h9-10,21-22,24-27,32H,2-8,11-20,23,28H2,1H3/b10-9-,22-21+",CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC/C=C/c1ccc(O)cc1,C31H50O3,pos_1_minus1proton1iron,470.37599546,ZOFPRQJBCAHQCG,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 3052,2669,-1,,,,0.0,MS1_match,ZOFPRQJBCAHQCG-RBJUHRAPSA-N,"InChI=1S/C31H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31(33)34-28-21-22-29-24-26-30(32)27-25-29/h9-10,21-22,24-27,32H,2-8,11-20,23,28H2,1H3/b10-9-,22-21+",CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC/C=C/c1ccc(O)cc1,C31H50O3,pos_1_minus1proton1iron,470.37599546,ZOFPRQJBCAHQCG,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 3053,2669,-1,,,,0.0,MS1_match,XNZIMRUZBOZIBC-JVRMVBBZSA-N,"InChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,XNZIMRUZBOZIBC,Terpenoids,Triterpenoids,Lupane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 3054,2669,-1,,,,0.0,MS1_match,XNZIMRUZBOZIBC-JVRMVBBZSA-N,"InChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,XNZIMRUZBOZIBC,Terpenoids,Triterpenoids,Lupane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 3055,2666,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,VSUOKLTVXQRUSG-UHFFFAOYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)",O=C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O,C21H18O12,pos_1_1proton1isopropanol,462.079826016,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,3,9.5 3056,2666,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,VSUOKLTVXQRUSG-UHFFFAOYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)",O=C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O,C21H18O12,pos_1_1proton1isopropanol,462.079826016,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,3,9.5 3057,2665,-1,,,,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1sodium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,0,8.0 3058,2665,-1,,,,0.0,MS1_match,WYYUKFFHGFCNBT-MBPYKEKKSA-N,"InChI=1S/C21H22O9/c22-15-14(11-28-20(27)13-9-5-2-6-10-13)29-21(17(24)16(15)23)30-18(19(25)26)12-7-3-1-4-8-12/h1-10,14-18,21-24H,11H2,(H,25,26)/t14-,15-,16+,17-,18-,21+/m1/s1",O=C(OC[C@H]1O[C@@H](O[C@@H](C(=O)O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1,C21H22O9,pos_1_1sodium,418.1263822839999,WYYUKFFHGFCNBT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 3059,2665,-1,,,,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1sodium,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3060,2665,-1,,,,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1sodium,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3061,2665,-1,,,,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1sodium,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3062,2665,-1,,,,0.0,MS1_match,VFPGPPMQCHGMCT-ITSUVCJSSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1sodium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3063,2665,-1,,,,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1sodium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,0,8.0 3064,2665,-1,,,,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1sodium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 3065,2665,-1,,,,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1sodium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spinulosa,574227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinulosa'],8,0,8.0 3066,2665,-1,,,,0.0,MS1_match,CNNUKFIXGVQJSF-CQQLTZKSSA-N,"InChI=1S/C21H22O9/c1-27-11-4-2-10(3-5-11)16-8-14(23)18-13(22)6-12(7-17(18)30-16)29-21-20(26)19(25)15(24)9-28-21/h2-7,15-16,19-22,24-26H,8-9H2,1H3/t15-,16-,19+,20-,21+/m1/s1",COc1ccc([C@H]2CC(=O)c3c(O)cc(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1,C21H22O9,pos_1_1sodium,418.1263822839999,CNNUKFIXGVQJSF,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 3067,2665,-1,,,,0.0,MS1_match,OVWZFLKQVPSRDZ-UHFFFAOYSA-N,"InChI=1S/C21H22O9/c1-9-18(25)19(26)20(27)21(28-9)30-16-7-12(23)6-15-17(16)13(24)8-14(29-15)10-2-4-11(22)5-3-10/h2-7,9,14,18-23,25-27H,8H2,1H3",CC1OC(Oc2cc(O)cc3c2C(=O)CC(c2ccc(O)cc2)O3)C(O)C(O)C1O,C21H22O9,pos_1_1sodium,418.126382284,OVWZFLKQVPSRDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 3068,2665,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1potassium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 3069,2665,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1potassium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 3070,2665,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1potassium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3071,2665,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1potassium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 3072,2665,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1potassium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 3073,2665,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1potassium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3074,2665,-1,,,,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1sodium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 3075,2662,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.0,MS1_match,HNEGQIOMVPPMNR-UHFFFAOYSA-N,"InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)",CC(=CC(=O)O)C(=O)O,C5H6O4,pos_1_1proton1methanol,130.026608672,HNEGQIOMVPPMNR,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,3,8.5 3076,2661,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 3077,2661,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3078,2660,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1proton1ammonium,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,1,6.5 3079,2660,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1proton1ammonium,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,1,6.5 3080,2658,351,Amino acids and Peptides,Small peptides,Fatty aldehydes,0.0,MS1_match,WSMYVTOQOOLQHP-UHFFFAOYSA-N,"InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2",O=CCC=O,C3H4O2,pos_2MHNH3,72.021129368,WSMYVTOQOOLQHP,Fatty acids,Fatty acyls,Fatty aldehydes,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 3081,2657,-1,,,,0.0,MS1_match,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,pos_1_1proton1isopropanol,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 3082,2655,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HXFCTKKFLJMYHC-UHFFFAOYSA-N,"InChI=1S/C13H10O9/c1-20-4-3-5(14)22-10-6(4)7(12(16)17)8(13(18)19)9(15)11(10)21-2/h3,15H,1-2H3,(H,16,17)(H,18,19)",COc1c(O)c(C(=O)O)c(C(=O)O)c2c(OC)cc(=O)oc12,C13H10O9,pos_1_1proton1ethylamine,310.0324819,HXFCTKKFLJMYHC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),,Sanguisorba minor,894082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba minor'],6,1,6.5 3083,2654,-1,,,,0.0,MS1_match,FWHJRKHBZLMKQW-DZLOKQDQSA-N,"InChI=1S/C16H20O9/c1-25-12-6-8(2-4-9(12)18)3-5-10(19)13(21)15(23)16(24)14(22)11(20)7-17/h2-6,11,14-18,20,22-24H,7H2,1H3/b5-3+/t11-,14-,15+,16+/m1/s1",COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H20O9,pos_2MNa,356.1107322199999,FWHJRKHBZLMKQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3084,2654,-1,,,,0.0,MS1_match,ADHNTNYEJYJUCU-ZSJFXSENSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-15-14(21)13(20)11(7-17)24-16(15)22/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16?/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O,C16H20O9,pos_2MNa,356.11073222,ADHNTNYEJYJUCU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3085,2653,86,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,MMBACJOZVSORQJ-WQDCACQGSA-N,"InChI=1S/C45H34O15/c46-21-7-1-18(2-8-21)39-29(53)15-25-26(50)16-31-35(40(25)56-39)38-34-28(52)17-32-36(41(34)60-45(59-31,43(38)55)20-5-11-23(48)12-6-20)37-33-27(51)13-24(49)14-30(33)57-44(58-32,42(37)54)19-3-9-22(47)10-4-19/h1-14,16-17,29,37-39,42-43,46-55H,15H2/t29-,37+,38+,39+,42+,43+,44-,45+/m1/s1",Oc1ccc([C@@H]2Oc3c(c(O)cc4c3[C@@H]3c5c(O)cc6c(c5O[C@](c5ccc(O)cc5)(O4)[C@H]3O)[C@@H]3c4c(O)cc(O)cc4O[C@](c4ccc(O)cc4)(O6)[C@H]3O)C[C@H]2O)cc1,C45H34O15,pos_2_1calcium,814.189770388,MMBACJOZVSORQJ,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Spenceria ramalana,61000.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Spenceria'],['Spenceria ramalana'],6,0,6.0 3086,2652,-1,,,,0.0,MS1_match,NQBXSWAWVZHKBZ-UHFFFAOYSA-N,"InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3",CCCCOCCOC(C)=O,C8H16O3,pos_1_1proton2acetonitrile,160.109944372,NQBXSWAWVZHKBZ,Fatty acids,Fatty esters,Wax monoesters,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3087,2647,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1sodium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,6.0 3088,2647,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1sodium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,6.0 3089,2646,-1,,,,0.37338704,ISDB,YFILOVOZDBXTAF-VSJIUSJESA-N,"InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,12,20,23-25,31H,1,10-11,13-18H2,2-8H3/t20-,23?,24-,25-,27-,28+,29-,30-/m1/s1",C=C1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@H]2[C@@H]1C,C30H46O,,422.354866092,YFILOVOZDBXTAF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Calotropis procera,920658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Calotropis'],['Calotropis procera'],4,0,5.493548154830933 3090,2645,-1,,,,0.0,MS1_match,AUPMFUOQLMOLGB-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h17-18,20-23,28H,2-16,19,24H2,1H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H44O3,pos_1_1proton,416.329045268,AUPMFUOQLMOLGB,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 3091,2645,-1,,,,0.0,MS1_match,AUPMFUOQLMOLGB-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h17-18,20-23,28H,2-16,19,24H2,1H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H44O3,pos_1_1proton,416.329045268,AUPMFUOQLMOLGB,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 3092,2644,-1,,,,0.0,MS1_match,JSNRRGGBADWTMC-UHFFFAOYSA-N,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3",C=CC(=C)CCC=C(C)CCC=C(C)C,C15H24,pos_2MH,204.187800768,JSNRRGGBADWTMC,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,8.0 3093,2644,-1,,,,0.0,MS1_match,FAMPSKZZVDUYOS-HRGUGZIWSA-N,"InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+",C/C1=C\CC/C(C)=C/CC(C)(C)/C=C/C1,C15H24,pos_2MH,204.187800768,FAMPSKZZVDUYOS,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 3094,2644,-1,,,,0.0,MS1_match,GAIBLDCXCZKKJE-RXJOXMPGSA-N,"InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m0/s1",C=C1/C=C/[C@H](C(C)C)CC/C(C)=C/CC1,C15H24,pos_2MH,204.187800768,GAIBLDCXCZKKJE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,8.0 3095,2644,-1,,,,0.0,MS1_match,NPNUFJAVOOONJE-UHFFFAOYSA-N,"InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3",C=C1CCC=C(C)CCC2C1CC2(C)C,C15H24,pos_2MH,204.187800768,NPNUFJAVOOONJE,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Malus toringo,321921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus sieboldii'],8,0,8.0 3096,2644,-1,,,,0.0,MS1_match,NPNUFJAVOOONJE-UHFFFAOYSA-N,"InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3",C=C1CCC=C(C)CCC2C1CC2(C)C,C15H24,pos_2MH,204.187800768,NPNUFJAVOOONJE,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Malus sieboldii,321921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus sieboldii'],8,0,8.0 3097,2644,-1,,,,0.0,MS1_match,ZJSIKVDEOWWVEH-UHFFFAOYSA-N,"InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,13-14H,2,5-9H2,1,3-4H3",C=C1CCCC(C)(C)C2C=C(C)CCC12,C15H24,pos_2MH,204.187800768,ZJSIKVDEOWWVEH,Terpenoids,Sesquiterpenoids,Himachalane sesquiterpenoids,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,8.0 3098,2644,-1,,,,0.0,MS1_match,FAMPSKZZVDUYOS-HRGUGZIWSA-N,"InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+",C/C1=C\CC/C(C)=C/CC(C)(C)/C=C/C1,C15H24,pos_2MH,204.187800768,FAMPSKZZVDUYOS,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 3099,2644,-1,,,,0.0,MS1_match,NPNUFJAVOOONJE-GFUGXAQUSA-N,"InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1",C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24,pos_2MH,204.187800768,NPNUFJAVOOONJE,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,8.0 3100,2644,-1,,,,0.0,MS1_match,CXENHBSYCFFKJS-UHFFFAOYSA-N,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3",C=CC(C)=CCC=C(C)CCC=C(C)C,C15H24,pos_2MH,204.187800768,CXENHBSYCFFKJS,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,8.0 3101,2643,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_minus1proton2sodium,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus torminalis,846359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus torminalis'],7,0,7.0 3102,2643,-1,,,,0.0,MS1_match,LZSGYESPQHEVBU-MUBWEJBWSA-N,"InChI=1S/C22H22O12/c1-31-19-11(26)6-10(25)13-15(28)21(18(33-20(13)19)8-2-4-9(24)5-3-8)34-22-17(30)16(29)14(27)12(7-23)32-22/h2-6,12,14,16-17,22-27,29-30H,7H2,1H3/t12-,14-,16+,17-,22+/m1/s1",COc1c(O)cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc12,C22H22O12,pos_1_minus1proton2sodium,478.1111261439998,LZSGYESPQHEVBU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus intermedia,317926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus intermedia'],7,0,7.0 3103,2643,-1,,,,0.0,MS1_match,LZSGYESPQHEVBU-MUBWEJBWSA-N,"InChI=1S/C22H22O12/c1-31-19-11(26)6-10(25)13-15(28)21(18(33-20(13)19)8-2-4-9(24)5-3-8)34-22-17(30)16(29)14(27)12(7-23)32-22/h2-6,12,14,16-17,22-27,29-30H,7H2,1H3/t12-,14-,16+,17-,22+/m1/s1",COc1c(O)cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc12,C22H22O12,pos_1_minus1proton2sodium,478.1111261439998,LZSGYESPQHEVBU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus torminalis,846359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus torminalis'],7,0,7.0 3104,2643,-1,,,,0.0,MS1_match,LZSGYESPQHEVBU-MUBWEJBWSA-N,"InChI=1S/C22H22O12/c1-31-19-11(26)6-10(25)13-15(28)21(18(33-20(13)19)8-2-4-9(24)5-3-8)34-22-17(30)16(29)14(27)12(7-23)32-22/h2-6,12,14,16-17,22-27,29-30H,7H2,1H3/t12-,14-,16+,17-,22+/m1/s1",COc1c(O)cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc12,C22H22O12,pos_1_minus1proton2sodium,478.1111261439998,LZSGYESPQHEVBU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Crataegus sanguinea,60981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus sanguinea'],7,0,7.0 3105,2643,-1,,,,0.0,MS1_match,LZSGYESPQHEVBU-MUBWEJBWSA-N,"InChI=1S/C22H22O12/c1-31-19-11(26)6-10(25)13-15(28)21(18(33-20(13)19)8-2-4-9(24)5-3-8)34-22-17(30)16(29)14(27)12(7-23)32-22/h2-6,12,14,16-17,22-27,29-30H,7H2,1H3/t12-,14-,16+,17-,22+/m1/s1",COc1c(O)cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc12,C22H22O12,pos_1_minus1proton2sodium,478.1111261439998,LZSGYESPQHEVBU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 3106,2643,-1,,,,0.0,MS1_match,LZSGYESPQHEVBU-MUBWEJBWSA-N,"InChI=1S/C22H22O12/c1-31-19-11(26)6-10(25)13-15(28)21(18(33-20(13)19)8-2-4-9(24)5-3-8)34-22-17(30)16(29)14(27)12(7-23)32-22/h2-6,12,14,16-17,22-27,29-30H,7H2,1H3/t12-,14-,16+,17-,22+/m1/s1",COc1c(O)cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc12,C22H22O12,pos_1_minus1proton2sodium,478.1111261439998,LZSGYESPQHEVBU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus intermedia,317926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus intermedia'],7,0,7.0 3107,2643,-1,,,,0.0,MS1_match,LZSGYESPQHEVBU-MUBWEJBWSA-N,"InChI=1S/C22H22O12/c1-31-19-11(26)6-10(25)13-15(28)21(18(33-20(13)19)8-2-4-9(24)5-3-8)34-22-17(30)16(29)14(27)12(7-23)32-22/h2-6,12,14,16-17,22-27,29-30H,7H2,1H3/t12-,14-,16+,17-,22+/m1/s1",COc1c(O)cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc12,C22H22O12,pos_1_minus1proton2sodium,478.1111261439998,LZSGYESPQHEVBU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus torminalis,846359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus torminalis'],7,0,7.0 3108,2643,-1,,,,0.0,MS1_match,LZSGYESPQHEVBU-MUBWEJBWSA-N,"InChI=1S/C22H22O12/c1-31-19-11(26)6-10(25)13-15(28)21(18(33-20(13)19)8-2-4-9(24)5-3-8)34-22-17(30)16(29)14(27)12(7-23)32-22/h2-6,12,14,16-17,22-27,29-30H,7H2,1H3/t12-,14-,16+,17-,22+/m1/s1",COc1c(O)cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc12,C22H22O12,pos_1_minus1proton2sodium,478.1111261439998,LZSGYESPQHEVBU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Crataegus sanguinea,60981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus sanguinea'],7,0,7.0 3109,2643,-1,,,,0.0,MS1_match,SEWSFPXRFAJLGT-KNZPIVNISA-N,"InChI=1S/C22H22O12/c1-31-11-4-8(2-3-10(11)25)21-19(29)17(27)15-12(32-21)5-9(24)6-13(15)33-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18,20,22-26,28-30H,7H2,1H3/t14-,16-,18-,20+,22+/m0/s1",COc1cc(-c2oc3cc(O)cc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H](O)[C@H]4O)c3c(=O)c2O)ccc1O,C22H22O12,pos_1_minus1proton2sodium,478.111126144,SEWSFPXRFAJLGT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],7,0,7.0 3110,2643,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_minus1proton2sodium,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],7,0,7.0 3111,2643,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_minus1proton2sodium,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 3112,2643,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_minus1proton2sodium,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus aria,222834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aria'],7,0,7.0 3113,2643,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_minus1proton2sodium,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus intermedia,317926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus intermedia'],7,0,7.0 3114,2643,-1,,,,0.0,MS1_match,LZSGYESPQHEVBU-MUBWEJBWSA-N,"InChI=1S/C22H22O12/c1-31-19-11(26)6-10(25)13-15(28)21(18(33-20(13)19)8-2-4-9(24)5-3-8)34-22-17(30)16(29)14(27)12(7-23)32-22/h2-6,12,14,16-17,22-27,29-30H,7H2,1H3/t12-,14-,16+,17-,22+/m1/s1",COc1c(O)cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc12,C22H22O12,pos_1_minus1proton2sodium,478.1111261439998,LZSGYESPQHEVBU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 3115,2643,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_minus1proton2sodium,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus intermedia,317926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus intermedia'],7,0,7.0 3116,2643,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_minus1proton2sodium,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],7,0,7.0 3117,2643,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_minus1proton2sodium,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 3118,2643,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_minus1proton2sodium,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus aria,222834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aria'],7,0,7.0 3119,2643,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_minus1proton2sodium,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus torminalis,846359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus torminalis'],7,0,7.0 3120,2642,-1,,,,0.34366882,ISDB,JWUBBDSIWDLEOM-DTOXIADCSA-N,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1",C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12,C27H44O2,,400.334130648,JWUBBDSIWDLEOM,Terpenoids,Steroids,Cholestane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],4,0,5.374675273895264 3121,2641,-1,,,,0.472628,ISDB,GFNIWJNBRRFVIS-DBGJKWLWSA-N,"InChI=1S/C30H44/c1-22-9-13-27(14-10-22)25(4)8-7-18-30(6)19-17-24(3)20-29(30)21-26(5)28-15-11-23(2)12-16-28/h7-9,11,18,20-21,27-29H,10,12-17,19H2,1-6H3/b18-7+,25-8+,26-21+/t27-,28-,29+,30+/m0/s1",CC1=CC[C@H](/C(C)=C/C=C/[C@]2(C)CCC(C)=C[C@@H]2/C=C(\C)[C@H]2CC=C(C)CC2)CC1,C30H44,,404.344301408,GFNIWJNBRRFVIS,Terpenoids,Diterpenoids,Cembrane diterpenoids,Axinyssa variabilis,2835581.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Suberitida'],['Halichondriidae'],['Unknown'],['Axinyssa'],['Axinyssa variabilis'],1,0,2.890511989593506 3122,2641,-1,,,,0.472628,ISDB,GFNIWJNBRRFVIS-DBGJKWLWSA-N,"InChI=1S/C30H44/c1-22-9-13-27(14-10-22)25(4)8-7-18-30(6)19-17-24(3)20-29(30)21-26(5)28-15-11-23(2)12-16-28/h7-9,11,18,20-21,27-29H,10,12-17,19H2,1-6H3/b18-7+,25-8+,26-21+/t27-,28-,29+,30+/m0/s1",CC1=CC[C@H](/C(C)=C/C=C/[C@]2(C)CCC(C)=C[C@@H]2/C=C(\C)[C@H]2CC=C(C)CC2)CC1,C30H44,,404.344301408,GFNIWJNBRRFVIS,Terpenoids,Diterpenoids,Cembrane diterpenoids,Lipastrotethya ana,2835908.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Bubarida'],['Dictyonellidae'],['Unknown'],['Lipastrotethya'],['Lipastrotethya ana'],1,0,2.890511989593506 3123,2640,-1,,,,0.0,MS1_match,XTPQCRPHXZBRMP-MFAHDMLHSA-N,"InChI=1S/C25H42O11/c1-11-8-14(26)9-25(4,5)15(11)7-6-12(2)34-24-22(32)20(30)18(28)16(36-24)10-33-23-21(31)19(29)17(27)13(3)35-23/h8,12-13,15-24,27-32H,6-7,9-10H2,1-5H3/t12-,13+,15+,16-,17+,18-,19-,20+,21-,22-,23-,24+/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H42O11,pos_1_1proton1ammonium,518.272712164,XTPQCRPHXZBRMP,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 3124,2640,-1,,,,0.0,MS1_match,XTPQCRPHXZBRMP-MFAHDMLHSA-N,"InChI=1S/C25H42O11/c1-11-8-14(26)9-25(4,5)15(11)7-6-12(2)34-24-22(32)20(30)18(28)16(36-24)10-33-23-21(31)19(29)17(27)13(3)35-23/h8,12-13,15-24,27-32H,6-7,9-10H2,1-5H3/t12-,13+,15+,16-,17+,18-,19-,20+,21-,22-,23-,24+/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H42O11,pos_1_1proton1ammonium,518.272712164,XTPQCRPHXZBRMP,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 3125,2639,-1,,,,0.0,MS1_match,DQVGVYRSVYCJRR-AXRVZGOCSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56-57H,1,14-25,27H2,2-12H3/b34-26+,42-28?,43-29?,44-28?,45-30?,46-29?,47-30?,52-50?/t32-,33-,37+,41+,51-/m1/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C,C55H74N4O5,pos_1_1proton,870.565921468,DQVGVYRSVYCJRR,Alkaloids,,,Fragaria vesca,852873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria vesca'],7,0,7.0 3126,2639,-1,,,,0.0,MS1_match,REFBLEJUPUPWLM-UHFFFAOYSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,59,61H,1,14-25,27H2,2-12H3",C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)C(C(=O)OC)C=4C3=NC(=C2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(CC)=C1C,C55H74N4O5,pos_1_1proton,870.565921468,REFBLEJUPUPWLM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Fragaria vesca,852873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria vesca'],7,0,7.0 3127,2638,-1,,,,0.0,MS1_match,GZIFEOYASATJEH-VHFRWLAGSA-N,"InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1",Cc1cc(O)cc2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2,C27H46O2,pos_1_minus1proton1iron,402.349780712,GZIFEOYASATJEH,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 3128,2638,-1,,,,0.0,MS1_match,GZIFEOYASATJEH-BERHBOFZSA-N,"InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m0/s1",Cc1cc(O)cc2c1O[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC2,C27H46O2,pos_1_minus1proton1iron,402.3497807119999,GZIFEOYASATJEH,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 3129,2638,-1,,,,0.0,MS1_match,GZIFEOYASATJEH-VHFRWLAGSA-N,"InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1",Cc1cc(O)cc2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2,C27H46O2,pos_1_minus1proton1iron,402.349780712,GZIFEOYASATJEH,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 3130,2638,-1,,,,0.0,MS1_match,GZIFEOYASATJEH-BERHBOFZSA-N,"InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m0/s1",Cc1cc(O)cc2c1O[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC2,C27H46O2,pos_1_minus1proton1iron,402.3497807119999,GZIFEOYASATJEH,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 3131,2637,-1,,,,0.5257199,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia hainanensis,718420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia hainanensis'],4,0,6.102879524230957 3132,2637,-1,,,,0.5257199,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia katsumadai,6024866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia katsumadae'],4,0,6.102879524230957 3133,2637,-1,,,,0.5257199,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Eucalyptus delegatensis,771613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus delegatensis'],4,0,6.102879524230957 3134,2637,-1,,,,0.5257199,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,0,6.102879524230957 3135,2637,-1,,,,0.5257199,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Thymus saturejoides,905407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus saturejoides'],4,0,6.102879524230957 3136,2637,-1,,,,0.5257199,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],4,0,6.102879524230957 3137,2637,-1,,,,0.5257199,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,0,6.102879524230957 3138,2635,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.22608477,ISDB,KZASYHCOTWMXPE-NZOIILRUSA-N,"InChI=1S/C27H44O3/c1-17(2)18-7-10-21-24(18,3)13-15-27(6)22-11-9-20(28)19(8-12-23(29)30)25(22,4)14-16-26(21,27)5/h17-19,21-22H,7-16H2,1-6H3,(H,29,30)/t18-,19-,21-,22+,24-,25+,26+,27-/m1/s1",CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CCC(=O)[C@@H](CCC(=O)O)[C@]3(C)CC[C@@]21C,C27H44O3,,416.329045268,KZASYHCOTWMXPE,Terpenoids,Triterpenoids,Filicane triterpenoids,Dorstenia brasiliensis,117241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Dorstenia'],['Dorstenia brasiliensis'],5,2,6.904339075088501 3139,2629,310,Shikimates and Phenylpropanoids,,,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1sodium,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,1,6.5 3140,2629,310,Shikimates and Phenylpropanoids,,,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1sodium,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,1,6.5 3141,2626,-1,,,,0.0,MS1_match,ADHNTNYEJYJUCU-ZSJFXSENSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-15-14(21)13(20)11(7-17)24-16(15)22/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16?/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O,C16H20O9,pos_1_1potassium,356.11073222,ADHNTNYEJYJUCU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3142,2626,-1,,,,0.0,MS1_match,FWHJRKHBZLMKQW-DZLOKQDQSA-N,"InChI=1S/C16H20O9/c1-25-12-6-8(2-4-9(12)18)3-5-10(19)13(21)15(23)16(24)14(22)11(20)7-17/h2-6,11,14-18,20,22-24H,7H2,1H3/b5-3+/t11-,14-,15+,16+/m1/s1",COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H20O9,pos_1_1potassium,356.1107322199999,FWHJRKHBZLMKQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3143,2625,644,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,UBWUZHMCADSLDT-SOHRVHQUSA-N,"InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C21H36O8,pos_1_1sodium,416.241018112,UBWUZHMCADSLDT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 3144,2624,-1,,,,0.3194294,ISDB,MKODUFPLOJRPAO-KNOFZFNKSA-N,"InChI=1S/C27H42O/c1-23(2)20-11-15-27(6)21(25(20,4)14-12-22(23)28)10-9-19-18-8-7-13-24(18,3)16-17-26(19,27)5/h8,19-21H,7,9-17H2,1-6H3/t19-,20+,21-,24-,25+,26-,27-/m1/s1",CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4C5=CCC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C27H42O,,382.323565964,MKODUFPLOJRPAO,Terpenoids,Triterpenoids,Lupane triterpenoids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,5.277717590332031 3145,2622,-1,,,,0.0,MS1_match,HXFCTKKFLJMYHC-UHFFFAOYSA-N,"InChI=1S/C13H10O9/c1-20-4-3-5(14)22-10-6(4)7(12(16)17)8(13(18)19)9(15)11(10)21-2/h3,15H,1-2H3,(H,16,17)(H,18,19)",COc1c(O)c(C(=O)O)c(C(=O)O)c2c(OC)cc(=O)oc12,C13H10O9,pos_1_1proton1ethylamine,310.0324819,HXFCTKKFLJMYHC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),,Sanguisorba minor,894082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba minor'],6,0,6.0 3146,2621,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.499417,ISDB,DPPDDVUHJLFARQ-AFPGKYJCSA-N,"InChI=1S/C27H42O2/c1-24(2)11-13-27(17-28)14-12-26(4)21-6-5-18-15-19(29)9-10-25(18,3)20(21)7-8-22(26)23(27)16-24/h6,8,18-20,23,28-29H,5,7,9-17H2,1-4H3/t18-,19-,20-,23-,25-,26-,27+/m0/s1",CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@H]4C3=CC[C@H]3C[C@@H](O)CC[C@@]34C)[C@@H]2C1,C27H42O2,,398.318480584,DPPDDVUHJLFARQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Laennecia filaginoides,5537460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza filaginoides'],4,2,6.997668027877808 3147,2615,-1,,,,0.0,MS1_match,CJGRGYBLAHPYOM-LNVOCJLCSA-N,"InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6-/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C\c1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O7,pos_1_1proton,310.105252916,CJGRGYBLAHPYOM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea thunbergii,882955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea thunbergii'],6,0,6.0 3148,2615,-1,,,,0.0,MS1_match,CJGRGYBLAHPYOM-LNVOCJLCSA-N,"InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6-/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C\c1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O7,pos_1_1proton,310.105252916,CJGRGYBLAHPYOM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea thunbergii,882955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea thunbergii'],6,0,6.0 3149,2615,-1,,,,0.0,MS1_match,FMMQFGNJOTXLGF-QMIVOQANSA-N,"InChI=1S/C15H18O7/c16-7-11-12(19)13(20)14(21)15(22-11)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11-17,19-21H,7H2/t11-,12-,13+,14-,15+/m1/s1",O=C(C=Cc1ccc(O)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O7,pos_1_1proton,310.105252916,FMMQFGNJOTXLGF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 3150,2615,-1,,,,0.0,MS1_match,FMMQFGNJOTXLGF-QMIVOQANSA-N,"InChI=1S/C15H18O7/c16-7-11-12(19)13(20)14(21)15(22-11)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11-17,19-21H,7H2/t11-,12-,13+,14-,15+/m1/s1",O=C(C=Cc1ccc(O)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O7,pos_1_1proton,310.105252916,FMMQFGNJOTXLGF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 3151,2615,-1,,,,0.0,MS1_match,CFFMLEQRNNOHLH-HOLMNUNMSA-N,"InChI=1S/C15H18O7/c16-11(7-6-9-4-2-1-3-5-9)21-8-10-12(17)13(18)14(19)15(20)22-10/h1-7,10,12-15,17-20H,8H2/b7-6+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccccc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O7,pos_1_1proton,310.105252916,CFFMLEQRNNOHLH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea canescens,832446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea canescens'],6,0,6.0 3152,2614,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.41518795,ISDB,DPPDDVUHJLFARQ-AFPGKYJCSA-N,"InChI=1S/C27H42O2/c1-24(2)11-13-27(17-28)14-12-26(4)21-6-5-18-15-19(29)9-10-25(18,3)20(21)7-8-22(26)23(27)16-24/h6,8,18-20,23,28-29H,5,7,9-17H2,1-4H3/t18-,19-,20-,23-,25-,26-,27+/m0/s1",CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@H]4C3=CC[C@H]3C[C@@H](O)CC[C@@]34C)[C@@H]2C1,C27H42O2,,398.318480584,DPPDDVUHJLFARQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Laennecia filaginoides,5537460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza filaginoides'],4,2,6.660751819610596 3153,2612,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.48440832,ISDB,GNRJJEDFWQMQOM-GPWOMBQASA-N,"InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-10,14,18-19,21,23-24,28H,7,11-13,15-17H2,1-5H3/b8-6+/t19-,21+,23-,24+,26+,27-/m1/s1",CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C,C27H40O,,380.3079159,GNRJJEDFWQMQOM,Terpenoids,Steroids,Cholestane steroids,Axinella cannabina,153546.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Axinellidae'],['Unknown'],['Axinella'],['Axinella cannabina'],1,1,3.4376332759857178 3154,2610,525,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,OMLOLNDDMHHIIN-IGTKEVKPSA-N,"InChI=1S/C29H44O3/c1-17-7-8-19(25(31)32)18-11-15-28(5)20(24(17)18)9-10-22-27(4)14-13-23(30)26(2,3)21(27)12-16-29(22,28)6/h7,9,18-19,21-24,30H,8,10-16H2,1-6H3,(H,31,32)/t18-,19+,21-,22+,23-,24-,27+,28-,29-/m1/s1",CC1=CC[C@H](C(=O)O)[C@H]2CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12,C29H44O3,pos_2MMg,440.329045268,OMLOLNDDMHHIIN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,3,7.5 3155,2607,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SHZMGEYUEFSGCM-DNRYLMBSSA-N,"InChI=1S/C15H20O8/c1-6-4-8(17)7-2-3-21-14(10(6)7)23-15-13(20)12(19)11(18)9(5-16)22-15/h2-4,7,9-16,18-20H,5H2,1H3/t7-,9+,10+,11+,12-,13+,14-,15-/m0/s1",CC1=CC(=O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H20O8,pos_1_1proton1ethylamine,328.1158176,SHZMGEYUEFSGCM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 3156,2605,-1,,,,0.0,MS1_match,JDTFCGGOAXAFRS-TZVGKFEXSA-N,"InChI=1S/C25H42O12/c1-11-8-14(26)9-24(4,5)25(11,33)7-6-12(2)35-23-21(32)19(30)17(28)15(37-23)10-34-22-20(31)18(29)16(27)13(3)36-22/h8,12-13,15-23,27-33H,6-7,9-10H2,1-5H3/t12-,13+,15-,16+,17-,18-,19+,20-,21-,22-,23+,25-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H42O12,pos_1_1sodium,534.267626784,JDTFCGGOAXAFRS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 3157,2605,-1,,,,0.0,MS1_match,JDTFCGGOAXAFRS-TZVGKFEXSA-N,"InChI=1S/C25H42O12/c1-11-8-14(26)9-24(4,5)25(11,33)7-6-12(2)35-23-21(32)19(30)17(28)15(37-23)10-34-22-20(31)18(29)16(27)13(3)36-22/h8,12-13,15-23,27-33H,6-7,9-10H2,1-5H3/t12-,13+,15-,16+,17-,18-,19+,20-,21-,22-,23+,25-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H42O12,pos_1_1sodium,534.267626784,JDTFCGGOAXAFRS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 3158,2605,-1,,,,0.0,MS1_match,IDGXIXSKISLYAC-SBFMDMFKSA-N,"InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19+,20+,21+,22-,26+,27+,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O6,pos_1_minus1proton1iron,502.3294391919998,IDGXIXSKISLYAC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 3159,2605,-1,,,,0.0,MS1_match,IDGXIXSKISLYAC-SBFMDMFKSA-N,"InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19+,20+,21+,22-,26+,27+,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O6,pos_1_minus1proton1iron,502.3294391919998,IDGXIXSKISLYAC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 3160,2605,-1,,,,0.0,MS1_match,IDGXIXSKISLYAC-SBFMDMFKSA-N,"InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19+,20+,21+,22-,26+,27+,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O6,pos_1_minus1proton1iron,502.3294391919998,IDGXIXSKISLYAC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 3161,2605,-1,,,,0.0,MS1_match,IDGXIXSKISLYAC-SBFMDMFKSA-N,"InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19+,20+,21+,22-,26+,27+,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O6,pos_1_minus1proton1iron,502.3294391919998,IDGXIXSKISLYAC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 3162,2605,-1,,,,0.0,MS1_match,VBLIMTVKFVIDFU-PAZRJNPVSA-N,"InChI=1S/C30H46O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-19,21-23,32-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,21-,22+,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)C(=O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H46O6,pos_1_minus1proton1iron,502.3294391919999,VBLIMTVKFVIDFU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya deflexa,623252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya deflexa'],7,0,7.0 3163,2605,-1,,,,0.0,MS1_match,DOADEZLVINXRRP-KZJJSQHKSA-N,"InChI=1S/C30H46O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-21,23,31,33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H46O6,pos_1_minus1proton1iron,502.3294391919999,DOADEZLVINXRRP,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya deflexa,623252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya deflexa'],7,0,7.0 3164,2605,-1,,,,0.0,MS1_match,DRYRATBIUFGXTR-BOGGBCNSSA-N,"InChI=1S/C30H46O6/c1-17-9-12-28(23(32)33)14-13-25(4)18(21(28)27(17,6)34)7-8-20-26(25,5)11-10-19-24(2,3)22(31)30(35)15-29(19,20)16-36-30/h7,17,19-22,31,34-35H,8-16H2,1-6H3,(H,32,33)/t17-,19+,20+,21-,22-,25-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]56CO[C@@](O)(C5)[C@H](O)C(C)(C)[C@@H]6CC[C@]43C)[C@@H]2[C@]1(C)O,C30H46O6,pos_1_minus1proton1iron,502.329439192,DRYRATBIUFGXTR,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Crataegus cuneata,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 3165,2601,2,Fatty acids,Fatty amides,Fatty aldehydes,0.80699426,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,2,8.22797703742981 3166,2599,525,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ROWAKJPQESBVOT-BTIXHMCTSA-N,"InChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9-10,21-22,24,32H,11-19H2,1-8H3/t21-,22-,24-,28-,29+,30+,31-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC=C3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H48O3,pos_2MMg,468.3603453959999,ROWAKJPQESBVOT,Terpenoids,Triterpenoids,Oleanane triterpenoids,Polylepis australis,664137.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis australis'],6,2,7.0 3167,2598,217,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,BJEPYKJPYRNKOW-REOHCLBHSA-N,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1",O=C(O)C[C@H](O)C(=O)O,C4H6O5,pos_1_1proton1ethylamine,134.021523292,BJEPYKJPYRNKOW,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 3168,2598,217,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,BJEPYKJPYRNKOW-UHFFFAOYSA-N,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)",O=C(O)CC(O)C(=O)O,C4H6O5,pos_1_1proton1ethylamine,134.021523292,BJEPYKJPYRNKOW,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 3169,2597,-1,,,,0.25093457,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,0,5.003738284111023 3170,2597,-1,,,,0.25093457,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,0,5.003738284111023 3171,2596,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3172,2596,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3173,2593,-1,,,,0.0,MS1_match,RAFHNDRXYHOLSH-SFTVRKLSSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O11,pos_1_1proton1ethylamine,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3174,2593,-1,,,,0.0,MS1_match,RAFHNDRXYHOLSH-SFTVRKLSSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O11,pos_1_1proton1ethylamine,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3175,2593,-1,,,,0.0,MS1_match,RAFHNDRXYHOLSH-SFTVRKLSSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O11,pos_1_1proton1ethylamine,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3176,2592,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.52771837,ISDB,XJMTWNXFNQAKGS-UHFFFAOYSA-N,"InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13,15-18,21,23-24H,11-12,14,19-20,22H2,1-8H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C,C30H46,,406.359951472,XJMTWNXFNQAKGS,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",Enterococcus faecium,594429.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Lactobacillales'],['Enterococcaceae'],['Unknown'],['Enterococcus'],['Enterococcus faecium'],0,1,2.6108734607696533 3177,2592,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.52771837,ISDB,XJMTWNXFNQAKGS-UHFFFAOYSA-N,"InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13,15-18,21,23-24H,11-12,14,19-20,22H2,1-8H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C,C30H46,,406.359951472,XJMTWNXFNQAKGS,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",Staphylococcus aureus,1090496.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Bacillales'],['Staphylococcaceae'],['Unknown'],['Staphylococcus'],['Staphylococcus aureus'],0,1,2.6108734607696533 3178,2591,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,NVTNXPADRDASMP-PEXIWSMMSA-N,"InChI=1S/C17H30O10/c1-2-3-4-5-6-24-17-15(23)13(21)12(20)10(27-17)8-26-16-14(22)11(19)9(18)7-25-16/h3-4,9-23H,2,5-8H2,1H3/b4-3-/t9-,10-,11+,12-,13+,14-,15-,16+,17-/m1/s1",CC/C=C\CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C17H30O10,pos_1_1proton1ammonium,394.18389716,NVTNXPADRDASMP,,,,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 3179,2587,-1,,,,0.0,MS1_match,GVJHHUAWPYXKBD-IEOSBIPESA-N,"InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1",Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,C29H50O2,pos_1_minus1proton1iron,430.38108084,GVJHHUAWPYXKBD,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3180,2587,-1,,,,0.0,MS1_match,GVJHHUAWPYXKBD-IEOSBIPESA-N,"InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1",Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,C29H50O2,pos_1_minus1proton1iron,430.38108084,GVJHHUAWPYXKBD,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3181,2584,315,Shikimates and Phenylpropanoids,Saccharides,Flavanones,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,3,8.5 3182,2584,315,Shikimates and Phenylpropanoids,Saccharides,Flavanones,0.0,MS1_match,FKAOWOSRYSMEBS-ZDUSSCGKSA-N,"InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1",COc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,FKAOWOSRYSMEBS,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,3,8.5 3183,2582,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ATHGHQPFGPMSJY-UHFFFAOYSA-N,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",NCCCCNCCCN,C7H19N3,pos_1_1proton,145.15789760799998,ATHGHQPFGPMSJY,Alkaloids,Ornithine alkaloids,Polyamines,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 3184,2582,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ATHGHQPFGPMSJY-UHFFFAOYSA-N,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",NCCCCNCCCN,C7H19N3,pos_1_1proton,145.15789760799998,ATHGHQPFGPMSJY,Alkaloids,Ornithine alkaloids,Polyamines,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 3185,2581,581,Shikimates and Phenylpropanoids,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3186,2581,581,Shikimates and Phenylpropanoids,,,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1sodium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 3187,2581,581,Shikimates and Phenylpropanoids,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 3188,2581,581,Shikimates and Phenylpropanoids,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3189,2581,581,Shikimates and Phenylpropanoids,,,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1sodium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 3190,2581,581,Shikimates and Phenylpropanoids,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 3191,2576,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.43074766,ISDB,FWBYBHVDDGVPDF-YOVQKNEVSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23-,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus thomsonii,3909565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus thomsonii'],4,3,7.22299063205719 3192,2576,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.43074766,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Byrsonima microphylla,6102017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Malpighiaceae'],['Unknown'],['Byrsonima'],['Byrsonima microphylla'],4,3,7.22299063205719 3193,2576,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.43074766,ISDB,FWBYBHVDDGVPDF-YOVQKNEVSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23-,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus velutinus,1051539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion velutinum'],4,3,7.22299063205719 3194,2576,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.43074766,ISDB,FWBYBHVDDGVPDF-MUZFUWECSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25-,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion,3953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Unknown'],4,3,7.22299063205719 3195,2576,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.43074766,ISDB,FWBYBHVDDGVPDF-UHFFFAOYSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3",C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)C=CC(=O)C(C)(C)C5CCC43C)C12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion philippicum,1051527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion philippicum'],4,3,7.22299063205719 3196,2576,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.43074766,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus watsonii,3909274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus watsonii'],4,3,7.22299063205719 3197,2576,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.43074766,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus flexuosus,772625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus flexuosus'],4,3,7.22299063205719 3198,2576,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.43074766,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion zeylanicum,1051538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion zeylanicum'],4,3,7.22299063205719 3199,2576,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.43074766,ISDB,FWBYBHVDDGVPDF-IAFKSKRFSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21-,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Monteverdia chiapensis,6092929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia chiapensis'],4,3,7.22299063205719 3200,2576,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.43074766,ISDB,FWBYBHVDDGVPDF-UHFFFAOYSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3",C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)C=CC(=O)C(C)(C)C5CCC43C)C12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus eriocarpus,1051679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion eriocarpum'],4,3,7.22299063205719 3201,2576,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.43074766,ISDB,FWBYBHVDDGVPDF-MUZFUWECSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25-,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus puberus,351500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion puberum'],4,3,7.22299063205719 3202,2576,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.43074766,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus sellowianus,425591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus sellowianus'],4,3,7.22299063205719 3203,2576,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.43074766,ISDB,FWBYBHVDDGVPDF-MUZFUWECSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25-,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion puberum,351500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion puberum'],4,3,7.22299063205719 3204,2576,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.43074766,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Breynia fruticosa,721777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Breynia'],['Breynia fruticosa'],4,3,7.22299063205719 3205,2576,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.43074766,ISDB,FWBYBHVDDGVPDF-IAFKSKRFSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21-,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Monteverdia cuzcoina,6092941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia cuzcoina'],4,3,7.22299063205719 3206,2576,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.43074766,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus taxodiifolius,772623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus taxodiifolius'],4,3,7.22299063205719 3207,2576,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.43074766,ISDB,FWBYBHVDDGVPDF-MUZFUWECSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25-,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus hohenackeri,3909495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus hohenackeri'],4,3,7.22299063205719 3208,2576,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.43074766,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion eriocarpum,1051679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion eriocarpum'],4,3,7.22299063205719 3209,2575,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ADHNTNYEJYJUCU-ZSJFXSENSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-15-14(21)13(20)11(7-17)24-16(15)22/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16?/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O,C16H20O9,pos_1_1proton1ethylamine,356.11073222,ADHNTNYEJYJUCU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3210,2575,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FWHJRKHBZLMKQW-DZLOKQDQSA-N,"InChI=1S/C16H20O9/c1-25-12-6-8(2-4-9(12)18)3-5-10(19)13(21)15(23)16(24)14(22)11(20)7-17/h2-6,11,14-18,20,22-24H,7H2,1H3/b5-3+/t11-,14-,15+,16+/m1/s1",COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H20O9,pos_1_1proton1ethylamine,356.1107322199999,FWHJRKHBZLMKQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3211,2574,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.26935962,ISDB,KZASYHCOTWMXPE-NZOIILRUSA-N,"InChI=1S/C27H44O3/c1-17(2)18-7-10-21-24(18,3)13-15-27(6)22-11-9-20(28)19(8-12-23(29)30)25(22,4)14-16-26(21,27)5/h17-19,21-22H,7-16H2,1-6H3,(H,29,30)/t18-,19-,21-,22+,24-,25+,26+,27-/m1/s1",CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CCC(=O)[C@@H](CCC(=O)O)[C@]3(C)CC[C@@]21C,C27H44O3,,416.329045268,KZASYHCOTWMXPE,Terpenoids,Triterpenoids,Filicane triterpenoids,Dorstenia brasiliensis,117241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Dorstenia'],['Dorstenia brasiliensis'],5,2,7.077438473701477 3212,2573,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.4139651,ISDB,FVWJYYTZTCVBKE-ROUWMTJPSA-N,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O2,,442.38108084,FVWJYYTZTCVBKE,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus pensylvanica,180915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus pensylvanica'],8,3,11.155860424041748 3213,2570,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.4571268,ISDB,DPPDDVUHJLFARQ-AFPGKYJCSA-N,"InChI=1S/C27H42O2/c1-24(2)11-13-27(17-28)14-12-26(4)21-6-5-18-15-19(29)9-10-25(18,3)20(21)7-8-22(26)23(27)16-24/h6,8,18-20,23,28-29H,5,7,9-17H2,1-4H3/t18-,19-,20-,23-,25-,26-,27+/m0/s1",CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@H]4C3=CC[C@H]3C[C@@H](O)CC[C@@]34C)[C@@H]2C1,C27H42O2,,398.318480584,DPPDDVUHJLFARQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Laennecia filaginoides,5537460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza filaginoides'],4,2,6.8285071849823 3214,2568,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FWHJRKHBZLMKQW-DZLOKQDQSA-N,"InChI=1S/C16H20O9/c1-25-12-6-8(2-4-9(12)18)3-5-10(19)13(21)15(23)16(24)14(22)11(20)7-17/h2-6,11,14-18,20,22-24H,7H2,1H3/b5-3+/t11-,14-,15+,16+/m1/s1",COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H20O9,pos_1_1sodium,356.1107322199999,FWHJRKHBZLMKQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3215,2568,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ADHNTNYEJYJUCU-ZSJFXSENSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-15-14(21)13(20)11(7-17)24-16(15)22/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16?/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O,C16H20O9,pos_1_1sodium,356.11073222,ADHNTNYEJYJUCU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3216,2567,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3217,2567,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 3218,2567,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 3219,2567,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3220,2567,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 3221,2567,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 3222,2567,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,QRWNMJBTANFMHA-VBTGVMJWSA-N,"InChI=1S/C16H22O10/c1-22-8-4-7(5-9(23-2)14(8)24-3)15(21)26-16-13(20)12(19)11(18)10(6-17)25-16/h4-5,10-13,16-20H,6H2,1-3H3/t10-,11-,12+,13-,16+/m1/s1",COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,C16H22O10,pos_1_1proton1ethylamine,374.1212969039999,QRWNMJBTANFMHA,,,,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 3223,2564,177,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1proton1ethylamine,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3224,2564,177,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ethylamine,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 3225,2564,177,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton1ethylamine,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3226,2564,177,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton1ethylamine,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3227,2564,177,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ethylamine,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 3228,2562,138,Shikimates and Phenylpropanoids,Cyclic polyketides,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3229,2562,138,Shikimates and Phenylpropanoids,Cyclic polyketides,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3230,2562,138,Shikimates and Phenylpropanoids,Cyclic polyketides,Simple coumarins,0.0,MS1_match,CIWXNUFLRXYBQV-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-8-4-3-7-6(10(8)12)2-5-9(11)14-7/h2-5,12H,1H3",COc1ccc2oc(=O)ccc2c1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,CIWXNUFLRXYBQV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 3231,2561,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3232,2561,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 3233,2561,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 3234,2561,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 3235,2561,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3236,2561,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 3237,2561,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 3238,2561,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 3239,2561,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3240,2560,-1,,,,0.0,MS1_match,TUHVEAJXIMEOSA-UHFFFAOYSA-N,"InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)",N=C(N)NCCCC(=O)O,C5H11N3O2,pos_1_1proton,145.085126592,TUHVEAJXIMEOSA,Amino acids and Peptides,Small peptides,Aminoacids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3241,2557,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-UHFFFAOYSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)",O=C(O)C1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H18O13,pos_1_1sodium,478.0747406359999,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 3242,2557,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-UHFFFAOYSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)",O=C(O)C1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H18O13,pos_1_1sodium,478.0747406359999,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 3243,2557,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-UHFFFAOYSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)",O=C(O)C1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H18O13,pos_1_1sodium,478.0747406359999,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 3244,2556,-1,,,,0.0,MS1_match,MOEVEIGHSLNJAI-RRXMTBKISA-N,"InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,21,23,25-29H,2,8,12-19H2,1,3-7H3/b10-9+/t21-,23+,25+,26+,27-,28+,29+,30+,31-/m1/s1",C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)CC,C31H48O2,pos_1_minus1proton1iron,452.365430776,MOEVEIGHSLNJAI,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 3245,2555,191,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,0.44731182,ISDB,LUWBRNPYIXNQTG-UHFFFAOYSA-N,"InChI=1S/C15H24O/c1-11(2)15(16)10-9-14(4)8-7-12(3)5-6-13(14)15/h7,13,16H,1,5-6,8-10H2,2-4H3",C=C(C)C1(O)CCC2(C)CC=C(C)CCC21,C15H24O,,220.182715388,LUWBRNPYIXNQTG,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,9.289247274398804 3246,2554,4,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.45377335,ISDB,,,,,,,JEOZLTJHDSKQIT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8150933980941772 3247,2553,138,Shikimates and Phenylpropanoids,Cyclic polyketides,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3248,2553,138,Shikimates and Phenylpropanoids,Cyclic polyketides,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3249,2553,138,Shikimates and Phenylpropanoids,Cyclic polyketides,Simple coumarins,0.0,MS1_match,CIWXNUFLRXYBQV-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-8-4-3-7-6(10(8)12)2-5-9(11)14-7/h2-5,12H,1H3",COc1ccc2oc(=O)ccc2c1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,CIWXNUFLRXYBQV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 3250,2552,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Allium sativum,748370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium sativum'],4,3,9.045213222503662 3251,2552,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,9.045213222503662 3252,2552,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Aloe africana,138839.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe africana'],4,3,9.045213222503662 3253,2552,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],4,3,9.045213222503662 3254,2552,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Cucurbita pepo,379282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Cucurbiteae'],['Cucurbita'],['Cucurbita pepo'],4,3,9.045213222503662 3255,2552,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,9.045213222503662 3256,2552,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Cucumis sativus,1006246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Benincaseae'],['Cucumis'],['Cucumis sativus'],4,3,9.045213222503662 3257,2552,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,3,9.045213222503662 3258,2552,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,3,9.045213222503662 3259,2552,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Spinacia oleracea,317784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Anserineae'],['Spinacia'],['Spinacia oleracea'],4,3,9.045213222503662 3260,2552,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Allium cepa,781600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium cepa'],4,3,9.045213222503662 3261,2552,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],4,3,9.045213222503662 3262,2552,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-UHFFFAOYSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)",NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Rauvolfia serpentina,1050238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Rauvolfia'],['Rauvolfia serpentina'],4,3,9.045213222503662 3263,2552,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,9.045213222503662 3264,2552,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,9.045213222503662 3265,2552,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Ardisia crenata,776705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia crenata'],4,3,9.045213222503662 3266,2552,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Psychotria punctata,171145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Psychotrieae'],['Psychotria'],['Psychotria punctata'],4,3,9.045213222503662 3267,2551,812,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.5459062,ISDB,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,12.683624744415283 3268,2550,599,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1proton1ethylamine,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 3269,2549,-1,,,,0.0,MS1_match,LTOSTBGJHNIWGF-XQUDQRHWSA-N,"InChI=1S/C22H20O12/c23-6-14-16(26)17(27)19(29)22(34-14)32-9-1-2-10-12(5-9)33-20(18(28)15(10)25)8-3-11(24)21-13(4-8)30-7-31-21/h1-5,14,16-17,19,22-24,26-29H,6-7H2/t14-,16-,17+,19-,22-/m1/s1",O=c1c(O)c(-c2cc(O)c3c(c2)OCO3)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,C22H20O12,pos_2MMg,476.09547608,LTOSTBGJHNIWGF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 3270,2549,-1,,,,0.0,MS1_match,LTOSTBGJHNIWGF-XQUDQRHWSA-N,"InChI=1S/C22H20O12/c23-6-14-16(26)17(27)19(29)22(34-14)32-9-1-2-10-12(5-9)33-20(18(28)15(10)25)8-3-11(24)21-13(4-8)30-7-31-21/h1-5,14,16-17,19,22-24,26-29H,6-7H2/t14-,16-,17+,19-,22-/m1/s1",O=c1c(O)c(-c2cc(O)c3c(c2)OCO3)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,C22H20O12,pos_2MMg,476.09547608,LTOSTBGJHNIWGF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 3271,2548,373,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,PHMKDBZGQWXPAZ-MZFJGDBOSA-N,"InChI=1S/C30H50O3/c1-19(2)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h20-25,31-33H,1,7-18H2,2-6H3/t20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O3,pos_1_1proton1ammonium,458.37599546,PHMKDBZGQWXPAZ,Terpenoids,Triterpenoids,Lupane triterpenoids,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 3272,2548,373,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,PHMKDBZGQWXPAZ-MZFJGDBOSA-N,"InChI=1S/C30H50O3/c1-19(2)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h20-25,31-33H,1,7-18H2,2-6H3/t20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O3,pos_1_1proton1ammonium,458.37599546,PHMKDBZGQWXPAZ,Terpenoids,Triterpenoids,Lupane triterpenoids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 3273,2548,373,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,PHMKDBZGQWXPAZ-MZFJGDBOSA-N,"InChI=1S/C30H50O3/c1-19(2)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h20-25,31-33H,1,7-18H2,2-6H3/t20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O3,pos_1_1proton1ammonium,458.37599546,PHMKDBZGQWXPAZ,Terpenoids,Triterpenoids,Lupane triterpenoids,Sorbus decora,426112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus decora'],6,3,7.5 3274,2545,-1,,,,0.0,MS1_match,UTPBCUCEDIRSFI-KHLXKNNCSA-N,"InChI=1S/C27H38O12/c1-34-19-7-14(8-20(35-2)24(19)31)5-16(11-28)17(12-38-27-26(33)23(30)18(29)13-39-27)6-15-9-21(36-3)25(32)22(10-15)37-4/h7-10,16-18,23,26-33H,5-6,11-13H2,1-4H3/t16-,17-,18-,23+,26-,27-/m1/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C27H38O12,pos_1_1sodium,554.236326656,UTPBCUCEDIRSFI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 3275,2543,362,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,RSKFXMDGCXLBAK-FFZDEPCBSA-N,"InChI=1S/C27H44O4/c1-17(2)13-23(29)31-22-14-19-20(30-18(3)28)15-21-24(4,5)9-8-10-26(21,7)27(19)12-11-25(22,6)16-27/h17,19-22H,8-16H2,1-7H3/t19-,20+,21+,22-,25+,26+,27+/m1/s1",CC(=O)O[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]23CC[C@@](C)(C2)[C@H](OC(=O)CC(C)C)C[C@H]13,C27H44O4,pos_1_1sodium1acetonitrile,432.323959888,RSKFXMDGCXLBAK,Terpenoids,Diterpenoids,Villanovane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 3276,2542,4,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,AKCWKACKPGSALW-MJLBXUHQSA-N,"InChI=1S/C20H34O4/c1-7-20(6,23)13-9-12-17(11-8-10-16(2)3)15-24-18(21)14-19(4,5)22/h7,10,12,22-23H,1,8-9,11,13-15H2,2-6H3/b17-12-/t20-/m1/s1",C=C[C@@](C)(O)CC/C=C(/CCC=C(C)C)COC(=O)CC(C)(C)O,C20H34O4,pos_1_1proton1ammonium,338.245709568,AKCWKACKPGSALW,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],6,3,7.5 3277,2539,991,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,XMXGGPVFYCGIQV-LZWOXQAQSA-N,"InChI=1S/C16H26O4/c1-11(2)14(17)9-10-16(3,19)13-7-5-12(6-8-13)15(18)20-4/h5,13-14,17,19H,1,6-10H2,2-4H3/t13-,14+,16-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC=C(C(=O)OC)CC1,C16H26O4,pos_1_1proton1ethylamine,282.183109312,XMXGGPVFYCGIQV,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 3278,2539,991,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,AAXHRFJECJMASC-ZVZLTRKCSA-N,"InChI=1S/C16H26O4/c1-15(2,18)10-5-11-16(3,19)13-8-6-12(7-9-13)14(17)20-4/h5-6,10,13,18-19H,7-9,11H2,1-4H3/b10-5+/t13-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC1,C16H26O4,pos_1_1proton1ethylamine,282.183109312,AAXHRFJECJMASC,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 3279,2538,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.834355,ISDB,WHFHDVDXYKOSKI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3",C=Cc1ccc(CC)cc1,C10H12,,132.093900384,WHFHDVDXYKOSKI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia kobus,664531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kobus'],4,3,8.837419986724854 3280,2536,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_2_2proton2acetonitrile,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 3281,2536,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_2_2proton2acetonitrile,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3282,2536,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_2_2proton2acetonitrile,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 3283,2535,-1,,,,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1ammonium,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 3284,2535,-1,,,,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1ammonium,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus foliolatus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 3285,2535,-1,,,,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1ammonium,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3286,2535,-1,,,,0.0,MS1_match,JAFZKPLEKRHFFD-UHFFFAOYSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3",C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CCC(C)=CCOC1OC(CO)C(O)C(O)C1O,C26H44O8,pos_1_1proton1ammonium,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii,922368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3287,2535,-1,,,,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1ammonium,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 3288,2535,-1,,,,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1ammonium,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus foliolatus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 3289,2535,-1,,,,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1ammonium,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3290,2535,-1,,,,0.0,MS1_match,CWDBCXIAEGDANA-UHFFFAOYSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3",C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CCC(C)=CCO,C26H44O8,pos_1_1proton1ammonium,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii,922368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3291,2535,-1,,,,0.0,MS1_match,KCTSUIMXVGYXPH-GPANMQAPSA-N,"InChI=1S/C26H44O8/c1-23(2)16-6-9-25-10-14(4-5-17(25)24(16,3)8-7-18(23)28)26(32,12-25)13-33-22-21(31)20(30)19(29)15(11-27)34-22/h14-22,27-32H,4-13H2,1-3H3/t14-,15-,16-,17+,18+,19-,20+,21-,22-,24-,25+,26+/m1/s1",CC1(C)[C@H]2CC[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CC[C@@H]1O)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C4,C26H44O8,pos_1_1proton1ammonium,484.303618368,KCTSUIMXVGYXPH,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3292,2535,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_2MFe,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 3293,2535,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_2MFe,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 3294,2535,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_2MFe,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 3295,2535,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_2MFe,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 3296,2535,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_2MFe,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 3297,2535,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_2MFe,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 3298,2533,908,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,XLPDVYGDNRIQFV-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3",Cc1ccc(C(C)(C)O)cc1,C10H14O,pos_2MH,150.104465068,XLPDVYGDNRIQFV,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 3299,2531,-1,,,,0.0,MS1_match,MBWOCQLTCWTIJE-ZUGPOPFOSA-N,"InChI=1S/C21H18O14/c22-6-3-7(23)11-10(4-6)33-17(5-1-8(24)12(26)9(25)2-5)18(13(11)27)34-21-16(30)14(28)15(29)19(35-21)20(31)32/h1-4,14-16,19,21-26,28-30H,(H,31,32)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O14,pos_2_2proton2acetonitrile,494.06965525599975,MBWOCQLTCWTIJE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 3300,2531,-1,,,,0.0,MS1_match,MBWOCQLTCWTIJE-ZUGPOPFOSA-N,"InChI=1S/C21H18O14/c22-6-3-7(23)11-10(4-6)33-17(5-1-8(24)12(26)9(25)2-5)18(13(11)27)34-21-16(30)14(28)15(29)19(35-21)20(31)32/h1-4,14-16,19,21-26,28-30H,(H,31,32)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O14,pos_2_2proton2acetonitrile,494.06965525599975,MBWOCQLTCWTIJE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 3301,2527,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.7363511,ISDB,LTUMRKDLVGQMJU-UHFFFAOYSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3",CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,8.945404291152954 3302,2526,940,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,UBWUZHMCADSLDT-SOHRVHQUSA-N,"InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C21H36O8,pos_1_1proton1ethylamine,416.241018112,UBWUZHMCADSLDT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,7.5 3303,2524,-1,,,,0.0,MS1_match,BNSCASRSSGJHQH-UHFFFAOYSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,BNSCASRSSGJHQH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],7,0,7.0 3304,2524,-1,,,,0.0,MS1_match,BNSCASRSSGJHQH-UHFFFAOYSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,BNSCASRSSGJHQH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],7,0,7.0 3305,2524,-1,,,,0.0,MS1_match,FDRQPMVGJOQVTL-BZARIISDSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hedlundia thuringiaca,3903561.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus x thuringiaca'],7,0,7.0 3306,2524,-1,,,,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus intermedia,317926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus intermedia'],7,0,7.0 3307,2524,-1,,,,0.0,MS1_match,RDUAJIJVNHKTQC-UHFFFAOYSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2",O=c1c(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eriobotrya,155169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Unknown'],7,0,7.0 3308,2524,-1,,,,0.0,MS1_match,RDUAJIJVNHKTQC-UHFFFAOYSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2",O=c1c(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhaphiolepis,316555.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Rhaphiolepis'],['Unknown'],7,0,7.0 3309,2524,-1,,,,0.0,MS1_match,RDUAJIJVNHKTQC-PPJSKWKESA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15+,17-,18-,20+,21-,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 3310,2520,962,,,,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_minus1proton1iron,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 3311,2520,962,,,,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_minus1proton1iron,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 3312,2518,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,ZNJFBWYDHIGLCU-VHSXEESVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/t9-,10+/m0/s1",CCC=CC[C@H]1C(=O)CC[C@H]1CC(=O)O,C12H18O3,pos_1_1proton1ethylamine,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3313,2517,-1,,,,0.0,MS1_match,CTCKPFXFWVNGLG-RTLCHFMVSA-N,"InChI=1S/C13H24O4/c1-9(14)5-6-13(17)11(2,3)7-10(15)8-12(13,4)16/h5-6,9-10,14-17H,7-8H2,1-4H3/b6-5+/t9-,10+,12-,13-/m0/s1",C[C@H](O)/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@]1(C)O,C13H24O4,pos_2MHCH3CN,244.167459248,CTCKPFXFWVNGLG,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 3314,2517,-1,,,,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1ethylamine,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 3315,2517,-1,,,,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1ethylamine,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus foliolatus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 3316,2517,-1,,,,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1ethylamine,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3317,2517,-1,,,,0.0,MS1_match,JAFZKPLEKRHFFD-UHFFFAOYSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3",C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CCC(C)=CCOC1OC(CO)C(O)C(O)C1O,C26H44O8,pos_1_1proton1ethylamine,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii,922368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3318,2517,-1,,,,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1ethylamine,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 3319,2517,-1,,,,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1ethylamine,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus foliolatus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 3320,2517,-1,,,,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1ethylamine,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3321,2517,-1,,,,0.0,MS1_match,CWDBCXIAEGDANA-UHFFFAOYSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3",C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CCC(C)=CCO,C26H44O8,pos_1_1proton1ethylamine,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii,922368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3322,2517,-1,,,,0.0,MS1_match,KCTSUIMXVGYXPH-GPANMQAPSA-N,"InChI=1S/C26H44O8/c1-23(2)16-6-9-25-10-14(4-5-17(25)24(16,3)8-7-18(23)28)26(32,12-25)13-33-22-21(31)20(30)19(29)15(11-27)34-22/h14-22,27-32H,4-13H2,1-3H3/t14-,15-,16-,17+,18+,19-,20+,21-,22-,24-,25+,26+/m1/s1",CC1(C)[C@H]2CC[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CC[C@@H]1O)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C4,C26H44O8,pos_1_1proton1ethylamine,484.303618368,KCTSUIMXVGYXPH,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3323,2516,-1,,,,0.29083598,ISDB,URPBIQPJABGDJD-SESVDKBCSA-N,"InChI=1S/C21H28O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]12,C21H28O3,,328.203844756,URPBIQPJABGDJD,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Mikania triangularis,7051529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania triangularis'],4,0,5.163343906402588 3324,2515,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,IKHGUXGNUITLKF-UHFFFAOYSA-N,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",CC=O,C2H4O,pos_2MHCH3CN,44.026214748,IKHGUXGNUITLKF,Fatty acids,Fatty acyls,Fatty aldehydes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 3325,2515,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,IKHGUXGNUITLKF-UHFFFAOYSA-N,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",CC=O,C2H4O,pos_2MHCH3CN,44.026214748,IKHGUXGNUITLKF,Fatty acids,Fatty acyls,Fatty aldehydes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 3326,2515,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,XEKOWRVHYACXOJ-UHFFFAOYSA-N,"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3",CCOC(C)=O,C4H8O2,pos_1_1proton1acetonitrile,88.052429496,XEKOWRVHYACXOJ,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 3327,2515,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,XEKOWRVHYACXOJ-UHFFFAOYSA-N,"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3",CCOC(C)=O,C4H8O2,pos_1_1proton1acetonitrile,88.052429496,XEKOWRVHYACXOJ,Fatty acids,Fatty esters,Wax monoesters,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 3328,2511,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,ZOJSSXJDOHFOTI-HOCLYGCPSA-N,"InChI=1S/C16H26O3/c1-12(2)6-5-11-16(3,18)14-9-7-13(8-10-14)15(17)19-4/h6-7,14,18H,5,8-11H2,1-4H3/t14-,16-/m0/s1",COC(=O)C1=CC[C@H]([C@@](C)(O)CCC=C(C)C)CC1,C16H26O3,pos_1_1proton1ammonium,266.188194692,ZOJSSXJDOHFOTI,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,2,7.0 3329,2510,206,,,,0.4539156,ISDB,,,,,,,ZDBLXLQFRZTIIU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8156623840332031 3330,2508,-1,,,,0.3210044,ISDB,OSULXBNEGGTCCA-XXGPQQRCSA-N,"InChI=1S/C20H26O2/c1-11-14-8-12-4-5-17-19(2,7-6-13-10-20(13,17)3)15(12)9-16(14)22-18(11)21/h8,13,15-17H,4-7,9-10H2,1-3H3/t13-,15-,16-,17+,19+,20+/m1/s1",CC1=C2C=C3CC[C@@H]4[C@@]5(C)C[C@H]5CC[C@@]4(C)[C@@H]3C[C@H]2OC1=O,C20H26O2,,298.193280072,OSULXBNEGGTCCA,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Suregada glomerulata,1082259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Gelonieae'],['Suregada'],['Suregada glomerulata'],4,0,5.284017562866211 3331,2506,73,Terpenoids,Steroids,Cholestane steroids,0.32235733,ISDB,AMMKCVYTIVZBCS-UHFFFAOYSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h15-16,18-24,29H,7-14,17H2,1-6H3",CC(C)C(C)CCC(C)C1CCC2C1(C)CCC1C23C=CC2(CC(O)CCC12C)OO3,C28H46O3,,430.344695332,AMMKCVYTIVZBCS,Terpenoids,Steroids,Cholestane steroids,Helianthus tuberosus,515709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus tuberosus'],4,3,6.789429306983948 3332,2506,73,Terpenoids,Steroids,Cholestane steroids,0.32235733,ISDB,AMMKCVYTIVZBCS-XFRWUBLRSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h15-16,18-24,29H,7-14,17H2,1-6H3/t19-,20-,21+,22-,23-,24-,25-,26-,27-,28+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3,C28H46O3,,430.344695332,AMMKCVYTIVZBCS,Terpenoids,Steroids,Cholestane steroids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,6.789429306983948 3333,2505,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3334,2505,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 3335,2505,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 3336,2505,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3337,2505,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 3338,2505,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 3339,2505,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,QRWNMJBTANFMHA-VBTGVMJWSA-N,"InChI=1S/C16H22O10/c1-22-8-4-7(5-9(23-2)14(8)24-3)15(21)26-16-13(20)12(19)11(18)10(6-17)25-16/h4-5,10-13,16-20H,6H2,1-3H3/t10-,11-,12+,13-,16+/m1/s1",COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,C16H22O10,pos_1_1proton1ethylamine,374.1212969039999,QRWNMJBTANFMHA,,,,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 3340,2504,243,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3341,2504,243,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 3342,2504,243,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 3343,2504,243,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 3344,2504,243,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3345,2504,243,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 3346,2504,243,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 3347,2504,243,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 3348,2504,243,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3349,2500,468,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1sodium,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,3,7.5 3350,2489,640,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JQUOIYCKIVRFRH-ZZXAPCEGSA-N,"InChI=1S/C26H32O16/c27-7-16-18(31)20(33)22(35)25(41-16)39-14-4-1-10(5-13(14)30)9-38-24(37)11-2-3-12(29)15(6-11)40-26-23(36)21(34)19(32)17(8-28)42-26/h1-6,16-23,25-36H,7-9H2/t16-,17+,18-,19+,20+,21-,22-,23+,25-,26+/m1/s1",O=C(OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1)c1ccc(O)c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1,C26H32O16,pos_1_minus1proton2sodium,600.169034944,JQUOIYCKIVRFRH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],7,1,7.5 3351,2486,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3352,2486,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3353,2486,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3354,2486,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3355,2484,-1,,,,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_1sodium,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 3356,2484,-1,,,,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_1sodium,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 3357,2483,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1proton,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3358,2483,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JGUZGNYPMHHYRK-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1,C16H12O7,pos_1_1proton,316.058302724,JGUZGNYPMHHYRK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3359,2482,-1,,,,0.27968964,ISDB,VGHBPRLIBBSXGG-LEEVSCAKSA-N,"InChI=1S/C20H32O3/c1-6-20(13-21)12-8-15-18(4)10-9-16(22)17(2,3)14(18)7-11-19(15,5)23-20/h6,14-15,21H,1,7-13H2,2-5H3/t14-,15+,18-,19+,20+/m1/s1",C=C[C@@]1(CO)CC[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]2(C)O1,C20H32O3,,320.235144884,VGHBPRLIBBSXGG,Terpenoids,Diterpenoids,Labdane diterpenoids,Excoecaria agallocha,475587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria agallocha'],4,0,5.11875855922699 3360,2481,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QKRKWPNZCIURPD-MRVPVSSYSA-N,"InChI=1S/C10H10N2O4/c13-4-6-1-2-7(5-14)12(6)8-3-9(15)11-10(8)16/h1-2,4,8,14H,3,5H2,(H,11,15,16)/t8-/m1/s1",O=Cc1ccc(CO)n1[C@@H]1CC(=O)NC1=O,C10H10N2O4,pos_2MHNH3,222.0640568,QKRKWPNZCIURPD,Alkaloids,Proline alkaloids,Pyrrole alkaloids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3361,2479,-1,,,,0.0,MS1_match,XZRJEYQBLXDNNU-BFFMHGNPSA-N,"InChI=1S/C19H34O9/c1-10(27-16-15(24)14(23)13(22)12(9-20)28-16)5-6-19(26)17(2,3)7-11(21)8-18(19,4)25/h5-6,10-16,20-26H,7-9H2,1-4H3/b6-5+/t10-,11+,12+,13+,14-,15+,16+,18-,19-/m0/s1",C[C@@H](/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O9,pos_1_1proton1ammonium,406.220282668,XZRJEYQBLXDNNU,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 3362,2477,134,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NIABBGMPPWXWOJ-UHFFFAOYSA-N,"InChI=1S/C26H28O16/c27-6-13-16(32)18(34)20(36)26(40-13)41-23-17(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-22(14)24(21(23)37)42-25-19(35)15(31)11(30)7-38-25/h1-5,11,13,15-16,18-20,25-28,30-37H,6-7H2",O=c1cc(-c2ccc(O)cc2)oc2c(OC3OCC(O)C(O)C3O)c(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c12,C26H28O16,pos_2_2sodium,596.1377348159998,NIABBGMPPWXWOJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,2,9.0 3363,2476,-1,,,,0.0,MS1_match,UBWUZHMCADSLDT-SOHRVHQUSA-N,"InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C21H36O8,pos_1_1proton1ammonium,416.241018112,UBWUZHMCADSLDT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 3364,2475,552,Polyketides,Linear polyketides,Acetogenins,0.2658849,ISDB,LBFWHQSJIPPDSZ-UHFFFAOYSA-N,"InChI=1S/C37H66O5/c1-3-4-5-6-7-8-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h17,20,30-31,33-36,38-39H,3-16,18-19,21-29H2,1-2H3",CCCCCCCCC=CCCC(O)C1CCC(C(O)CCCCCCCCCCCCCCC2=CC(C)OC2=O)O1,C37H66O5,,590.491025212,LBFWHQSJIPPDSZ,Polyketides,Linear polyketides,Acetogenins,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,3,6.563539624214172 3365,2474,77,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_2_1proton1sodium,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,8.5 3366,2474,77,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2_1proton1sodium,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 3367,2474,77,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_2_1proton1sodium,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,1,8.5 3368,2474,77,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2_1proton1sodium,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,1,8.5 3369,2474,77,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2_1proton1sodium,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,1,8.5 3370,2471,25,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,YNNRPBRNWWIQPQ-MAAFUUECSA-N,"InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)25-33(42)27-39(40,10)44-40)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)26-38(35,9)43-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34?,38+,39+,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)C1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C40H56O4,pos_1_1sodium,600.417860272,YNNRPBRNWWIQPQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3371,2471,25,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,YNNRPBRNWWIQPQ-MAAFUUECSA-N,"InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)25-33(42)27-39(40,10)44-40)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)26-38(35,9)43-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34?,38+,39+,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)C1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C40H56O4,pos_1_1sodium,600.417860272,YNNRPBRNWWIQPQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3372,2471,25,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,PGYAYSRVSAJXTE-UHFFFAOYSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3",CC(C=C=C1C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C,C40H56O4,pos_1_1sodium,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3373,2471,25,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,PGYAYSRVSAJXTE-UHFFFAOYSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3",CC(C=C=C1C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C,C40H56O4,pos_1_1sodium,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3374,2471,25,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,PGYAYSRVSAJXTE-UHFFFAOYSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3",CC(C=C=C1C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C,C40H56O4,pos_1_1sodium,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3375,2471,25,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_1_1sodium,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3376,2471,25,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_1_1sodium,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3377,2470,-1,,,,0.5578821,ISDB,DUKANLAALCEHLW-OAHLLOKOSA-N,"InChI=1S/C15H22O/c1-11(2)13-7-9-15(3)8-6-12(10-16)4-5-14(13)15/h6,10-11H,4-5,7-9H2,1-3H3/t15-/m1/s1",CC(C)C1=C2CCC(C=O)=CC[C@]2(C)CC1,C15H22O,,218.167065324,DUKANLAALCEHLW,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,8.231528282165527 3378,2468,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.26200026,ISDB,RAXXBLUAHMNNDW-MHKXYFPYSA-N,"InChI=1S/C19H22O5/c1-9-7-18-8-10(9)11(20)6-12(18)19-5-3-4-17(2,16(23)24-19)14(19)13(18)15(21)22/h3,5,10-14,20H,1,4,6-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,,330.146723804,RAXXBLUAHMNNDW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,9.048001050949097 3379,2465,124,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.44836086,ISDB,HBZNVZIRJWODIB-NHCUFCNUSA-N,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN,C39H74NO8P,,715.515204958,HBZNVZIRJWODIB,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,7.293443441390991 3380,2465,124,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.44836086,ISDB,HBZNVZIRJWODIB-NHCUFCNUSA-N,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN,C39H74NO8P,,715.515204958,HBZNVZIRJWODIB,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Lycoris incarnata,992964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Lycoris'],['Lycoris incarnata'],4,3,7.293443441390991 3381,2464,-1,,,,0.0,MS1_match,RQJUAEBONLZLLI-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(30)32-23-18-19-25-21-22-26(29)27(24-25)31-2/h18-19,21-22,24,29H,3-17,20,23H2,1-2H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)c(OC)c1,C28H46O4,pos_1_1proton,446.339609952,RQJUAEBONLZLLI,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 3382,2464,-1,,,,0.0,MS1_match,RQJUAEBONLZLLI-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(30)32-23-18-19-25-21-22-26(29)27(24-25)31-2/h18-19,21-22,24,29H,3-17,20,23H2,1-2H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)c(OC)c1,C28H46O4,pos_1_1proton,446.339609952,RQJUAEBONLZLLI,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 3383,2464,-1,,,,0.0,MS1_match,KOGAYLRKEMJALJ-UHFFFAOYSA-N,"InChI=1S/C27H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h9-10,17-18,20-23,28H,2-8,11-16,19,24H2,1H3",CCCCCCCCC=CCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H42O3,pos_1_1proton1methanol,414.313395204,KOGAYLRKEMJALJ,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 3384,2464,-1,,,,0.0,MS1_match,KOGAYLRKEMJALJ-UHFFFAOYSA-N,"InChI=1S/C27H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h9-10,17-18,20-23,28H,2-8,11-16,19,24H2,1H3",CCCCCCCCC=CCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H42O3,pos_1_1proton1methanol,414.313395204,KOGAYLRKEMJALJ,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 3385,2463,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,KSNLTHGWURXRJK-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-10(18)8(3)4-11(9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C(C)C)cc1O,C16H24O7,pos_1_1proton1ammonium,328.152203108,KSNLTHGWURXRJK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 3386,2463,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,KSNLTHGWURXRJK-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-10(18)8(3)4-11(9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C(C)C)cc1O,C16H24O7,pos_1_1proton1ammonium,328.152203108,KSNLTHGWURXRJK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 3387,2463,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,XFPSRAYOBUHKRV-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O7,pos_1_1proton1ammonium,328.152203108,XFPSRAYOBUHKRV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 3388,2463,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,XFPSRAYOBUHKRV-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O7,pos_1_1proton1ammonium,328.152203108,XFPSRAYOBUHKRV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 3389,2458,-1,,,,0.0,MS1_match,NIABBGMPPWXWOJ-UHFFFAOYSA-N,"InChI=1S/C26H28O16/c27-6-13-16(32)18(34)20(36)26(40-13)41-23-17(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-22(14)24(21(23)37)42-25-19(35)15(31)11(30)7-38-25/h1-5,11,13,15-16,18-20,25-28,30-37H,6-7H2",O=c1cc(-c2ccc(O)cc2)oc2c(OC3OCC(O)C(O)C3O)c(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c12,C26H28O16,pos_1_1proton1ethylamine,596.1377348159998,NIABBGMPPWXWOJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 3390,2458,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_1_1proton1ammonium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3391,2458,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton1ammonium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3392,2458,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton1ammonium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3393,2458,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton1ammonium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 3394,2458,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton1ammonium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 3395,2458,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_1_1proton1ammonium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3396,2458,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton1ammonium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3397,2458,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton1ammonium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3398,2458,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton1ammonium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 3399,2458,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton1ammonium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 3400,2458,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_1_1proton1ammonium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3401,2458,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton1ammonium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3402,2458,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton1ammonium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3403,2458,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton1ammonium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 3404,2458,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton1ammonium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 3405,2458,-1,,,,0.0,MS1_match,KEIZXGINFPDITQ-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C28H32O16,pos_1_1proton1ammonium,624.1690349439999,KEIZXGINFPDITQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 3406,2458,-1,,,,0.0,MS1_match,KEIZXGINFPDITQ-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C28H32O16,pos_1_1proton1ammonium,624.1690349439999,KEIZXGINFPDITQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 3407,2457,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_1proton1isopropanol,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,0,6.0 3408,2457,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_1proton1isopropanol,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,0,6.0 3409,2456,302,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,IZEUIYYDWBKERE-ZRODXFKISA-N,"InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C31H50O2,pos_1_minus1proton1iron,454.3810808399999,IZEUIYYDWBKERE,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 3410,2456,302,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,IZEUIYYDWBKERE-ZRODXFKISA-N,"InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C31H50O2,pos_1_minus1proton1iron,454.3810808399999,IZEUIYYDWBKERE,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 3411,2455,-1,,,,0.0,MS1_match,GYHFUZHODSMOHU-UHFFFAOYSA-N,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3",CCCCCCCCC=O,C9H18O,pos_1_1proton2acetonitrile,142.135765196,GYHFUZHODSMOHU,Fatty acids,Fatty acyls,Fatty aldehydes,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3412,2455,-1,,,,0.0,MS1_match,PTTPXKJBFFKCEK-UHFFFAOYSA-N,"InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3",CC(C)CC(=O)CC(C)C,C9H18O,pos_1_1proton2acetonitrile,142.135765196,PTTPXKJBFFKCEK,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3413,2454,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.23017919,ISDB,VLWGTVNAOQPEJO-UHFFFAOYSA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-13(37)5-11(35)6-15(18)50-29(30)10-2-3-14(12(36)4-10)51-32-27(46)24(43)20(39)16(7-34)52-32/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(OC5OC(CO)C(O)C(O)C5O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,C33H40O21,,772.2062083,VLWGTVNAOQPEJO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,10.420716762542725 3414,2452,-1,,,,0.0,MS1_match,AUPMFUOQLMOLGB-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h17-18,20-23,28H,2-16,19,24H2,1H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H44O3,pos_1_1proton1ethylamine,416.329045268,AUPMFUOQLMOLGB,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 3415,2452,-1,,,,0.0,MS1_match,AUPMFUOQLMOLGB-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h17-18,20-23,28H,2-16,19,24H2,1H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H44O3,pos_1_1proton1ethylamine,416.329045268,AUPMFUOQLMOLGB,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 3416,2451,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,3,9.5 3417,2451,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 3418,2451,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 3419,2450,-1,,,,0.0,MS1_match,TUHVEAJXIMEOSA-UHFFFAOYSA-N,"InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)",N=C(N)NCCCC(=O)O,C5H11N3O2,pos_1_1proton,145.085126592,TUHVEAJXIMEOSA,Amino acids and Peptides,Small peptides,Aminoacids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3420,2447,142,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.38081512,ISDB,WWRCMNKATXZARA-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3",Cc1ccccc1C(C)C,C10H14,,134.109550448,WWRCMNKATXZARA,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,11.023260474205017 3421,2444,73,Terpenoids,Steroids,Cholestane steroids,0.32235733,ISDB,AMMKCVYTIVZBCS-UHFFFAOYSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h15-16,18-24,29H,7-14,17H2,1-6H3",CC(C)C(C)CCC(C)C1CCC2C1(C)CCC1C23C=CC2(CC(O)CCC12C)OO3,C28H46O3,,430.344695332,AMMKCVYTIVZBCS,Terpenoids,Steroids,Cholestane steroids,Helianthus tuberosus,515709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus tuberosus'],4,3,6.789429306983948 3422,2444,73,Terpenoids,Steroids,Cholestane steroids,0.32235733,ISDB,AMMKCVYTIVZBCS-XFRWUBLRSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h15-16,18-24,29H,7-14,17H2,1-6H3/t19-,20-,21+,22-,23-,24-,25-,26-,27-,28+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3,C28H46O3,,430.344695332,AMMKCVYTIVZBCS,Terpenoids,Steroids,Cholestane steroids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,6.789429306983948 3423,2439,-1,,,,0.0,MS1_match,IIKXPKBPGMPATO-VXEJCKRLSA-N,"InChI=1S/C16H20O5/c1-8-12(20-10(3)18)6-5-11-7-13(19)16(9(2)17)14(21-16)15(8,11)4/h7-8,12,14H,5-6H2,1-4H3/t8-,12-,14+,15+,16-/m0/s1",CC(=O)O[C@H]1CCC2=CC(=O)[C@]3(C(C)=O)O[C@@H]3[C@]2(C)[C@H]1C,C16H20O5,pos_2MNa,292.13107374,IIKXPKBPGMPATO,Terpenoids,Sesquiterpenoids,Noreremophilane sesquiterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 3424,2437,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 3425,2437,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 3426,2435,749,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,QHMGJGNTMQDRQA-UHFFFAOYSA-N,"InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,C32H66,pos_1_minus1proton2sodium,450.516452112,QHMGJGNTMQDRQA,Fatty acids,Fatty acyls,Hydrocarbons,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,3,9.5 3427,2432,-1,,,,0.0,MS1_match,FFYPJOJFUJFYAT-AWZIMYOFSA-N,"InChI=1S/C24H38O11/c1-11-7-13(25)8-24(3,4)14(11)6-5-12(2)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h5-7,12,14-23,26-31H,8-10H2,1-4H3/b6-5+/t12-,14+,15-,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_1proton1ammonium,502.241412036,FFYPJOJFUJFYAT,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 3428,2432,-1,,,,0.0,MS1_match,DQQUPMXQGJRNAW-HYPVQEEESA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_1proton1ammonium,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 3429,2432,-1,,,,0.0,MS1_match,DQQUPMXQGJRNAW-HYPVQEEESA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,pos_1_1proton1ammonium,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 3430,2431,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,MXCOJKLBLFWFNI-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)",C=C1CC23CC1CCC2C12CCCC(C)(C(=O)OC1)C2C3C(=O)O,C20H26O4,pos_2MMg,330.183109312,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 3431,2431,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,MXCOJKLBLFWFNI-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)",C=C1CC23CC1CCC2C12CCCC(C)(C(=O)OC1)C2C3C(=O)O,C20H26O4,pos_2MMg,330.183109312,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 3432,2428,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MH,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3433,2425,166,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,VHQQPFLOGSTQPC-UHFFFAOYSA-N,"InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,C35H72,pos_1_minus1proton2sodium,492.563402304,VHQQPFLOGSTQPC,Fatty acids,Fatty acyls,Hydrocarbons,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,3,9.5 3434,2425,166,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,VHQQPFLOGSTQPC-UHFFFAOYSA-N,"InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,C35H72,pos_1_minus1proton2sodium,492.563402304,VHQQPFLOGSTQPC,Fatty acids,Fatty acyls,Hydrocarbons,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,3,9.5 3435,2419,-1,,,,0.0,MS1_match,BBOCDRLDMQHWJP-WOUKDFQISA-N,"InChI=1S/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)/t6-,8-,9-,12-/m1/s1",OCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,C12H17N5O5,pos_1_1proton1ammonium,311.122968644,BBOCDRLDMQHWJP,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 3436,2418,-1,,,,0.0,MS1_match,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,pos_1_1proton1ammonium,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 3437,2418,-1,,,,0.0,MS1_match,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,pos_1_1proton1ammonium,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 3438,2418,-1,,,,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ammonium,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 3439,2418,-1,,,,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ammonium,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 3440,2416,514,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3441,2416,514,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 3442,2416,514,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 3443,2416,514,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3444,2416,514,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 3445,2416,514,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 3446,2415,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QKRKWPNZCIURPD-MRVPVSSYSA-N,"InChI=1S/C10H10N2O4/c13-4-6-1-2-7(5-14)12(6)8-3-9(15)11-10(8)16/h1-2,4,8,14H,3,5H2,(H,11,15,16)/t8-/m1/s1",O=Cc1ccc(CO)n1[C@@H]1CC(=O)NC1=O,C10H10N2O4,pos_2MHNH3,222.0640568,QKRKWPNZCIURPD,Alkaloids,Proline alkaloids,Pyrrole alkaloids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3447,2413,859,Shikimates and Phenylpropanoids,,,0.0,MS1_match,GMVKZIGIYSHLJD-IHAUNJBESA-N,"InChI=1S/C18H20O14/c19-11-14-15(26-12-7-3-1-4-8-12,32-28-13-9-5-2-6-10-13)16(20,29-23)17(21,30-24)18(22,27-14)31-25/h1-10,14,19-25H,11H2/t14-,15-,16+,17-,18?/m1/s1",OC[C@H]1OC(O)(OO)[C@](O)(OO)[C@@](O)(OO)[C@@]1(OOc1ccccc1)Oc1ccccc1,C18H20O14,pos_2_2proton,460.08530532,GMVKZIGIYSHLJD,Shikimates and Phenylpropanoids,,,Sanguisorba minor,894082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba minor'],6,1,6.5 3448,2412,-1,,,,0.7768311,ISDB,JSKJPUCKVIJTKI-UHFFFAOYSA-N,"InChI=1S/C22H43O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h7-8,20-21,23-25H,2-6,9-19H2,1H3,(H,27,28)",CCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(O)CO,C22H43O9P,,482.2644695859999,JSKJPUCKVIJTKI,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,0,7.1073243618011475 3449,2411,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.39931092,ISDB,GRBHNQFQFHLCHO-DCSQKITESA-N,"InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21-,22+,23+,25+,27-,28-,29+,30-/m1/s1",C=C(C)[C@H]1CC[C@]2(C)CC[C@@]3(C)[C@H](CC[C@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O,,424.3705161559999,GRBHNQFQFHLCHO,Terpenoids,Triterpenoids,Lupane triterpenoids,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,3,9.097243666648865 3450,2407,847,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JJNMLNFZFGSWQR-WJZQQGDTSA-N,"InChI=1S/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32-33(49-37(43)28-18-8-2-9-19-28)34(50-38(44)29-20-10-3-11-21-29)35(51-39(45)30-22-12-4-13-23-30)41(48-32)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33-,34+,35-,41+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1,C41H32O11,pos_3_1proton2sodium,700.1944618439999,JJNMLNFZFGSWQR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,3,7.5 3451,2407,847,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JJNMLNFZFGSWQR-WJZQQGDTSA-N,"InChI=1S/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32-33(49-37(43)28-18-8-2-9-19-28)34(50-38(44)29-20-10-3-11-21-29)35(51-39(45)30-22-12-4-13-23-30)41(48-32)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33-,34+,35-,41+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1,C41H32O11,pos_3_1proton2sodium,700.1944618439999,JJNMLNFZFGSWQR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,3,7.5 3452,2406,-1,,,,0.0,MS1_match,KKLWTTVTWMTNBP-KYXYLJOWSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H22O10,pos_1_1sodium,386.1212969039999,KKLWTTVTWMTNBP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 3453,2406,-1,,,,0.0,MS1_match,KKLWTTVTWMTNBP-KYXYLJOWSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H22O10,pos_1_1sodium,386.1212969039999,KKLWTTVTWMTNBP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 3454,2405,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,QIVBCDIJIAJPQS-VIFPVBQESA-N,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C11H12N2O2,pos_1_1proton1isopropanol,204.089877624,QIVBCDIJIAJPQS,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 3455,2405,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,QIVBCDIJIAJPQS-VIFPVBQESA-N,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C11H12N2O2,pos_1_1proton1isopropanol,204.089877624,QIVBCDIJIAJPQS,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3456,2403,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],7,1,7.5 3457,2403,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Cotoneaster simonsii,3903153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster simonsii'],7,1,7.5 3458,2403,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],7,1,7.5 3459,2403,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1proton1ethylamine,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,1,7.5 3460,2403,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1proton1ethylamine,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],7,1,7.5 3461,2403,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],7,1,7.5 3462,2403,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Cotoneaster simonsii,3903153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster simonsii'],7,1,7.5 3463,2403,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],7,1,7.5 3464,2403,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1proton1ethylamine,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,1,7.5 3465,2403,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1proton1ethylamine,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],7,1,7.5 3466,2402,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,pos_1_1sodium,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3467,2402,-1,,,,0.0,MS1_match,GMISZFQPFDAPGI-OSYQBESMSA-N,"InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28+,29-,30-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc2c(c1O)C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2,C30H26O12,pos_1_1sodium,578.1424262719999,GMISZFQPFDAPGI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3468,2402,-1,,,,0.0,MS1_match,GMISZFQPFDAPGI-OSYQBESMSA-N,"InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28+,29-,30-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc2c(c1O)C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2,C30H26O12,pos_1_1sodium,578.1424262719999,GMISZFQPFDAPGI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 3469,2402,-1,,,,0.0,MS1_match,GMISZFQPFDAPGI-OSYQBESMSA-N,"InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28+,29-,30-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc2c(c1O)C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2,C30H26O12,pos_1_1sodium,578.1424262719999,GMISZFQPFDAPGI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3470,2402,-1,,,,0.0,MS1_match,GMISZFQPFDAPGI-OSYQBESMSA-N,"InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28+,29-,30-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc2c(c1O)C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2,C30H26O12,pos_1_1sodium,578.1424262719999,GMISZFQPFDAPGI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3471,2402,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,pos_1_1sodium,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3472,2402,-1,,,,0.0,MS1_match,GMISZFQPFDAPGI-OSYQBESMSA-N,"InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28+,29-,30-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc2c(c1O)C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2,C30H26O12,pos_1_1sodium,578.1424262719999,GMISZFQPFDAPGI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3473,2402,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,pos_1_1sodium,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3474,2402,-1,,,,0.0,MS1_match,GMISZFQPFDAPGI-OSYQBESMSA-N,"InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28+,29-,30-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc2c(c1O)C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2,C30H26O12,pos_1_1sodium,578.1424262719999,GMISZFQPFDAPGI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3475,2402,-1,,,,0.0,MS1_match,GMISZFQPFDAPGI-OSYQBESMSA-N,"InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28+,29-,30-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc2c(c1O)C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2,C30H26O12,pos_1_1sodium,578.1424262719999,GMISZFQPFDAPGI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 3476,2402,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,pos_1_1sodium,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3477,2402,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,pos_1_1sodium,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 3478,2402,-1,,,,0.0,MS1_match,GMISZFQPFDAPGI-OSYQBESMSA-N,"InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28+,29-,30-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc2c(c1O)C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2,C30H26O12,pos_1_1sodium,578.1424262719999,GMISZFQPFDAPGI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3479,2402,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,pos_1_1sodium,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3480,2402,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,pos_1_1sodium,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3481,2402,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,pos_1_1sodium,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 3482,2402,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,pos_1_1sodium,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3483,2402,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,pos_1_1sodium,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3484,2401,217,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,BJEPYKJPYRNKOW-UHFFFAOYSA-N,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)",O=C(O)CC(O)C(=O)O,C4H6O5,pos_1_1proton1ethylamine,134.021523292,BJEPYKJPYRNKOW,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,3,8.5 3485,2401,217,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,BJEPYKJPYRNKOW-REOHCLBHSA-N,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1",O=C(O)C[C@H](O)C(=O)O,C4H6O5,pos_1_1proton1ethylamine,134.021523292,BJEPYKJPYRNKOW,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,3,8.5 3486,2400,208,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5835013,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.834005117416382 3487,2397,-1,,,,0.0,MS1_match,PNEKVLUOGHZVKV-YRRKUQMFSA-N,"InChI=1S/C26H28O14/c1-9(28)22-19(33)21(35)26(39-22)40-24-18(32)16-13(30)6-11(29)7-14(16)37-23(24)10-2-4-12(5-3-10)36-25-20(34)17(31)15(8-27)38-25/h2-7,9,15,17,19-22,25-31,33-35H,8H2,1H3/t9-,15-,17-,19-,20+,21+,22-,25+,26-/m0/s1",C[C@H](O)[C@@H]1O[C@@H](Oc2c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1O,C26H28O14,pos_2_2proton,564.147905576,PNEKVLUOGHZVKV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 3488,2393,-1,,,,0.0,MS1_match,PQQITYGQJLPDFC-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O8,pos_1_1proton1acetonitrile,316.1158176,PQQITYGQJLPDFC,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 3489,2393,-1,,,,0.0,MS1_match,LNRJPFZEOOOQOH-MYXURULXSA-N,"InChI=1S/C16H20O8/c1-22-12(18)7-6-9-4-2-3-5-10(9)23-16-15(21)14(20)13(19)11(8-17)24-16/h2-7,11,13-17,19-21H,8H2,1H3/b7-6+/t11-,13-,14+,15-,16-/m1/s1",COC(=O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O8,pos_1_1proton1ammonium,340.1158176,LNRJPFZEOOOQOH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],8,0,8.0 3490,2392,267,Terpenoids,Apocarotenoids,Megastigmanes,0.37750506,ISDB,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,9.01002025604248 3491,2392,267,Terpenoids,Apocarotenoids,Megastigmanes,0.37750506,ISDB,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,9.01002025604248 3492,2387,190,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RXPCAYUGVCVMEX-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-24(39-15(3)31)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(21(34)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O,C27H34O16,pos_1_1sodium,614.184685008,RXPCAYUGVCVMEX,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,0,9.0 3493,2387,190,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IUWNEFXWBDZQHK-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,IUWNEFXWBDZQHK,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,0,9.0 3494,2387,190,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,0,9.0 3495,2387,190,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JKZKIQWFVBPCHT-BTUCETIBSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(24(39-15(3)31)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22+,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](OC(C)=O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,JKZKIQWFVBPCHT,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,0,9.0 3496,2387,190,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 3497,2387,190,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RVECJMKUWCVVGH-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-21(35)23(38-14(2)31)24(39-15(3)32)26(40-19)43-27(12-29)25(22(36)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,RVECJMKUWCVVGH,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,0,9.0 3498,2387,190,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UZVXGFFYDMWFAY-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-23(38-14(2)31)24(39-15(3)32)22(36)26(40-19)43-27(12-29)25(21(35)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C27H34O16,pos_1_1sodium,614.1846850079999,UZVXGFFYDMWFAY,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,0,9.0 3499,2386,317,Terpenoids,Monoterpenoids,,0.0,MS1_match,KRHXGSVJPFGCQY-SOVLZIDRSA-N,"InChI=1S/C25H30O11/c1-13(2)11-17-20(28)16(24(32)35-17)9-10-33-25-23(31)22(30)21(29)18(36-25)12-34-19(27)8-5-14-3-6-15(26)7-4-14/h3-9,11,17-18,20-23,25-26,28-31H,10,12H2,1-2H3/b8-5-,16-9-/t17-,18-,20+,21-,22+,23-,25-/m1/s1",CC(C)=C[C@H]1OC(=O)/C(=C\CO[C@@H]2O[C@H](COC(=O)/C=C\c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,C25H30O11,pos_1_1proton1acetonitrile,506.17881178,KRHXGSVJPFGCQY,Terpenoids,Monoterpenoids,,Spiraea cantoniensis,873706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea cantoniensis'],6,2,7.0 3500,2385,-1,,,,0.0,MS1_match,JFYPLXOOAASGRS-TUUZUYIFSA-N,"InChI=1S/C22H36O2/c1-19(2)15-10-13-21(4)16(20(15,3)12-11-17(19)23)8-6-14-7-9-18(24)22(14,21)5/h7,9,14-18,23-24H,6,8,10-13H2,1-5H3/t14-,15+,16-,17+,18+,20+,21-,22+/m1/s1",CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4C=C[C@H](O)[C@@]4(C)[C@]3(C)CC[C@@H]12,C22H36O2,pos_1_1proton1isopropanol,332.271530392,JFYPLXOOAASGRS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 3501,2384,5,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1ethylamine,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3502,2384,5,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1ethylamine,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3503,2380,190,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LNRJPFZEOOOQOH-MYXURULXSA-N,"InChI=1S/C16H20O8/c1-22-12(18)7-6-9-4-2-3-5-10(9)23-16-15(21)14(20)13(19)11(8-17)24-16/h2-7,11,13-17,19-21H,8H2,1H3/b7-6+/t11-,13-,14+,15-,16-/m1/s1",COC(=O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O8,pos_1_1proton1ethylamine,340.1158176,LNRJPFZEOOOQOH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],8,1,8.5 3504,2380,190,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZTHSABILDCCHJR-XLKGFZLASA-N,"InChI=1S/C18H24O8/c1-9(2)3-4-10-7-11(17(23)24)5-6-12(10)25-18-16(22)15(21)14(20)13(8-19)26-18/h3,5-7,13-16,18-22H,4,8H2,1-2H3,(H,23,24)/t13-,14-,15+,16-,18-/m1/s1",CC(C)=CCc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H24O8,pos_1_1proton1ammonium,368.147117728,ZTHSABILDCCHJR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,8.5 3505,2380,190,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZTHSABILDCCHJR-XLKGFZLASA-N,"InChI=1S/C18H24O8/c1-9(2)3-4-10-7-11(17(23)24)5-6-12(10)25-18-16(22)15(21)14(20)13(8-19)26-18/h3,5-7,13-16,18-22H,4,8H2,1-2H3,(H,23,24)/t13-,14-,15+,16-,18-/m1/s1",CC(C)=CCc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H24O8,pos_1_1proton1ammonium,368.147117728,ZTHSABILDCCHJR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,1,8.5 3506,2380,190,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZTHSABILDCCHJR-XLKGFZLASA-N,"InChI=1S/C18H24O8/c1-9(2)3-4-10-7-11(17(23)24)5-6-12(10)25-18-16(22)15(21)14(20)13(8-19)26-18/h3,5-7,13-16,18-22H,4,8H2,1-2H3,(H,23,24)/t13-,14-,15+,16-,18-/m1/s1",CC(C)=CCc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H24O8,pos_1_1proton1ammonium,368.147117728,ZTHSABILDCCHJR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,1,8.5 3507,2379,412,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.43140167,ISDB,FZJHCRDUXLHHKI-DGMRPHBWSA-N,"InChI=1S/C27H28O18/c28-6-13-15(32)17(34)20(37)26(43-13)41-8-4-11(31)14-12(5-8)42-22(7-1-2-9(29)10(30)3-7)23(16(14)33)44-27-21(38)18(35)19(36)24(45-27)25(39)40/h1-5,13,15,17-21,24,26-32,34-38H,6H2,(H,39,40)/t13-,15-,17+,18+,19+,20-,21-,24+,26-,27-/m1/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C27H28O18,,640.127564056,FZJHCRDUXLHHKI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alchemilla speciosa,3904373.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Alchemilla'],['Alchemilla speciosa'],7,3,10.225606679916382 3508,2378,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1proton,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3509,2378,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3510,2378,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3511,2377,-1,,,,0.0,MS1_match,TYIKLWYMBUWTIH-DUFZWWRVSA-N,"InChI=1S/C26H42O10/c1-22-6-3-7-23(2,21(32)36-20-19(31)18(30)17(29)14(10-27)35-20)15(22)4-8-24-11-25(33,9-5-16(22)24)26(34,12-24)13-28/h14-20,27-31,33-34H,3-13H2,1-2H3/t14-,15+,16+,17-,18+,19-,20+,22-,23-,24+,25+,26+/m1/s1",C[C@@]12CCC[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]1CC[C@]13C[C@](O)(CO)[C@](O)(CC[C@H]12)C3,C26H42O10,pos_1_1sodium,514.277797544,TYIKLWYMBUWTIH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3512,2374,-1,,,,0.0,MS1_match,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3513,2374,-1,,,,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,0,8.0 3514,2374,-1,,,,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,0,8.0 3515,2374,-1,,,,0.0,MS1_match,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3516,2374,-1,,,,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,0,8.0 3517,2374,-1,,,,0.0,MS1_match,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,pos_1_minus1proton1iron,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,0,8.0 3518,2372,-1,,,,0.0,MS1_match,XKXZHTWOHXJEOL-GFNJAKOTSA-N,"InChI=1S/C26H42O9/c1-23-7-3-8-24(2,22(32)35-21-20(31)19(30)18(29)15(11-27)34-21)16(23)6-9-25-10-14(4-5-17(23)25)26(33,12-25)13-28/h14-21,27-31,33H,3-13H2,1-2H3/t14-,15-,16+,17+,18-,19+,20-,21+,23-,24-,25+,26-/m1/s1",C[C@@]12CCC[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3,C26H42O9,pos_1_1sodium,498.282882924,XKXZHTWOHXJEOL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3519,2372,-1,,,,0.0,MS1_match,FDQQDABQEPPZSE-VXYURSECSA-N,"InChI=1S/C26H42O9/c1-22-7-4-8-23(2,21(31)32)15(22)5-9-25-12-24(3,33)26(13-25,10-6-16(22)25)35-20-19(30)18(29)17(28)14(11-27)34-20/h14-20,27-30,33H,4-13H2,1-3H3,(H,31,32)/t14-,15+,16+,17-,18+,19-,20+,22-,23-,24-,25-,26+/m1/s1",C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)(CC[C@H]12)[C@](C)(O)C3,C26H42O9,pos_1_1sodium,498.282882924,FDQQDABQEPPZSE,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3520,2371,822,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.34382564,ISDB,IHDJYDVWNNFPHR-CPAUUISZSA-N,"InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-10,14,16H,7-8H2,1-4H3/b6-5+/t9?,10-,13-/m1/s1",CC1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H22O3,,226.156894564,IHDJYDVWNNFPHR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],5,3,7.87530255317688 3521,2368,-1,,,,0.0,MS1_match,DHOHKRJHRNXWGD-FQXXIRCGSA-N,"InChI=1S/C18H26O11/c19-5-9-1-3-10(4-2-9)28-16-14(23)13(22)12(21)11(29-16)6-26-17-15(24)18(25,7-20)8-27-17/h1-4,11-17,19-25H,5-8H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1",OCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1,C18H26O11,pos_1_1proton1acetonitrile,418.147511652,DHOHKRJHRNXWGD,,,,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],7,0,7.0 3522,2368,-1,,,,0.0,MS1_match,DHOHKRJHRNXWGD-FQXXIRCGSA-N,"InChI=1S/C18H26O11/c19-5-9-1-3-10(4-2-9)28-16-14(23)13(22)12(21)11(29-16)6-26-17-15(24)18(25,7-20)8-27-17/h1-4,11-17,19-25H,5-8H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1",OCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1,C18H26O11,pos_1_1proton1acetonitrile,418.147511652,DHOHKRJHRNXWGD,,,,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,0,7.0 3523,2368,-1,,,,0.0,MS1_match,XEEBIXBFIAEQFZ-AJAJDKFCSA-N,"InChI=1S/C20H26O11/c21-8-11-14(23)17(26)19(29-11)28-9-12-15(24)16(25)18(27)20(30-12)31-13(22)7-6-10-4-2-1-3-5-10/h1-7,11-12,14-21,23-27H,8-9H2/b7-6+/t11-,12-,14+,15-,16+,17-,18-,19+,20+/m1/s1",O=C(/C=C/c1ccccc1)O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C20H26O11,pos_1_1proton1ammonium,442.14751165199976,XEEBIXBFIAEQFZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria chiloensis,478620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria chiloensis'],7,0,7.0 3524,2368,-1,,,,0.0,MS1_match,XEEBIXBFIAEQFZ-AJAJDKFCSA-N,"InChI=1S/C20H26O11/c21-8-11-14(23)17(26)19(29-11)28-9-12-15(24)16(25)18(27)20(30-12)31-13(22)7-6-10-4-2-1-3-5-10/h1-7,11-12,14-21,23-27H,8-9H2/b7-6+/t11-,12-,14+,15-,16+,17-,18-,19+,20+/m1/s1",O=C(/C=C/c1ccccc1)O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C20H26O11,pos_1_1proton1ammonium,442.14751165199976,XEEBIXBFIAEQFZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria chiloensis,478620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria chiloensis'],7,0,7.0 3525,2361,-1,,,,0.3770985,ISDB,,,,,,,ZWVBCEPQZNJNTB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5083940029144287 3526,2357,240,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,MZNYSUAHCQZTCI-JTVAWUQMSA-N,"InChI=1S/C25H32O10/c1-32-20-4-3-12(6-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19+,22-,23-,24+,25+/m0/s1",COc1ccc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1O,C25H32O10,pos_1_1sodium,492.199547224,MZNYSUAHCQZTCI,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 3527,2356,-1,,,,0.0,MS1_match,CTCKPFXFWVNGLG-RTLCHFMVSA-N,"InChI=1S/C13H24O4/c1-9(14)5-6-13(17)11(2,3)7-10(15)8-12(13,4)16/h5-6,9-10,14-17H,7-8H2,1-4H3/b6-5+/t9-,10+,12-,13-/m0/s1",C[C@H](O)/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@]1(C)O,C13H24O4,pos_2MHCH3CN,244.167459248,CTCKPFXFWVNGLG,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 3528,2356,-1,,,,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1ethylamine,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 3529,2356,-1,,,,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1ethylamine,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus foliolatus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 3530,2356,-1,,,,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1ethylamine,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3531,2356,-1,,,,0.0,MS1_match,JAFZKPLEKRHFFD-UHFFFAOYSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3",C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CCC(C)=CCOC1OC(CO)C(O)C(O)C1O,C26H44O8,pos_1_1proton1ethylamine,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii,922368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3532,2356,-1,,,,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1ethylamine,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 3533,2356,-1,,,,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1ethylamine,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus foliolatus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 3534,2356,-1,,,,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1ethylamine,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3535,2356,-1,,,,0.0,MS1_match,CWDBCXIAEGDANA-UHFFFAOYSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3",C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CCC(C)=CCO,C26H44O8,pos_1_1proton1ethylamine,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii,922368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3536,2356,-1,,,,0.0,MS1_match,KCTSUIMXVGYXPH-GPANMQAPSA-N,"InChI=1S/C26H44O8/c1-23(2)16-6-9-25-10-14(4-5-17(25)24(16,3)8-7-18(23)28)26(32,12-25)13-33-22-21(31)20(30)19(29)15(11-27)34-22/h14-22,27-32H,4-13H2,1-3H3/t14-,15-,16-,17+,18+,19-,20+,21-,22-,24-,25+,26+/m1/s1",CC1(C)[C@H]2CC[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CC[C@@H]1O)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C4,C26H44O8,pos_1_1proton1ethylamine,484.303618368,KCTSUIMXVGYXPH,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3537,2355,581,Shikimates and Phenylpropanoids,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3538,2355,581,Shikimates and Phenylpropanoids,,,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1sodium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 3539,2355,581,Shikimates and Phenylpropanoids,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 3540,2355,581,Shikimates and Phenylpropanoids,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3541,2355,581,Shikimates and Phenylpropanoids,,,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1sodium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 3542,2355,581,Shikimates and Phenylpropanoids,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 3543,2354,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5998819,ISDB,ILEDWLMCKZNDJK-UHFFFAOYSA-N,"InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H",O=c1ccc2cc(O)c(O)cc2o1,C9H6O4,,178.026608672,ILEDWLMCKZNDJK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,1,10.899527549743652 3544,2352,-1,,,,0.0,MS1_match,ATWHGWYKSFRYBN-YIHSLZFLSA-N,"InChI=1S/C26H40O10/c1-23-6-3-7-24(2)19(23)21(36-22(24)31)33-11-25-8-13(4-5-15(23)25)26(32,10-25)12-34-20-18(30)17(29)16(28)14(9-27)35-20/h13-21,27-30,32H,3-12H2,1-2H3/t13-,14-,15+,16-,17+,18-,19+,20-,21+,23+,24-,25+,26+/m1/s1",C[C@]12CCC[C@@]3(C)C(=O)O[C@H](OC[C@@]45C[C@@H](CC[C@H]41)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C5)[C@@H]23,C26H40O10,pos_1_1sodium,512.26214748,ATWHGWYKSFRYBN,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3545,2352,-1,,,,0.0,MS1_match,ATWHGWYKSFRYBN-YIHSLZFLSA-N,"InChI=1S/C26H40O10/c1-23-6-3-7-24(2)19(23)21(36-22(24)31)33-11-25-8-13(4-5-15(23)25)26(32,10-25)12-34-20-18(30)17(29)16(28)14(9-27)35-20/h13-21,27-30,32H,3-12H2,1-2H3/t13-,14-,15+,16-,17+,18-,19+,20-,21+,23+,24-,25+,26+/m1/s1",C[C@]12CCC[C@@]3(C)C(=O)O[C@H](OC[C@@]45C[C@@H](CC[C@H]41)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C5)[C@@H]23,C26H40O10,pos_1_1sodium,512.26214748,ATWHGWYKSFRYBN,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3546,2350,-1,,,,0.0,MS1_match,VBTGIZRDDFBNLB-ZAKJYJBGSA-N,"InChI=1S/C22H26O10/c23-14-8-6-12(7-9-14)17(25)15(24)10-31-22-20(28)19(27)18(26)16(32-22)11-30-21(29)13-4-2-1-3-5-13/h1-9,15-20,22-28H,10-11H2/t15-,16+,17-,18+,19-,20+,22+/m0/s1",O=C(OC[C@H]1O[C@@H](OC[C@H](O)[C@@H](O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1,C22H26O10,pos_1_minus1proton1magnesium,450.1525970319999,VBTGIZRDDFBNLB,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 3547,2347,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.21645923,ISDB,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,9.365836918354034 3548,2347,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.21645923,ISDB,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,9.365836918354034 3549,2345,-1,,,,0.0,MS1_match,SIAXRISTUAUQAK-UHFFFAOYSA-N,"InChI=1S/C11H14O4/c1-3-4-8(12)11-9(13)5-7(15-2)6-10(11)14/h5-6,13-14H,3-4H2,1-2H3",CCCC(=O)c1c(O)cc(OC)cc1O,C11H14O4,pos_1_1proton2acetonitrile,210.089208928,SIAXRISTUAUQAK,Polyketides,Phloroglucinols,Acyl phloroglucinols,Leucosidea sericea,813408.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Leucosidea'],['Leucosidea sericea'],6,0,6.0 3550,2345,-1,,,,0.0,MS1_match,DPEYEJOFAHQWJI-UHFFFAOYSA-N,"InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h5-7,13H,3-4H2,1-2H3",COc1cc(CCC=O)cc(OC)c1O,C11H14O4,pos_1_1proton2acetonitrile,210.089208928,DPEYEJOFAHQWJI,Alkaloids,,,Sorbus aucuparia,217673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aucuparia'],6,0,6.0 3551,2343,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.57693577,ISDB,PKCDBAJESFUNQJ-BUWFCSEKSA-N,"InChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h3,6-7,15-16,18H,1,4-5,8-14,17H2,2H3/b7-6+/t15-,16+/m0/s1",C=CCC/C=C/CCCCCCC[C@@H](O)[C@H](C)N,C16H31NO,,253.240564612,PKCDBAJESFUNQJ,Fatty acids,Sphingolipids,Sphingoid bases,Pseudodistoma obscurum,3644423.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Pseudodistomidae'],['Unknown'],['Pseudodistoma'],['Pseudodistoma obscurum'],1,0,3.3077430725097656 3552,2341,-1,,,,0.0,MS1_match,BAEXUXXJQFAXLI-LSLMRWIDSA-N,"InChI=1S/C15H26O3/c1-6-14(4,17)9-7-10-15(5)11-8-12(18-15)13(2,3)16/h6-7,10,12,16-17H,1,8-9,11H2,2-5H3/b10-7-/t12-,14+,15-/m0/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O)O1,C15H26O3,pos_1_1proton1ethylamine,254.188194692,BAEXUXXJQFAXLI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 3553,2340,-1,,,,0.0,MS1_match,QLJNETOQFQXTLI-WMYFGKAISA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ethylamine,520.194461844,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3554,2340,-1,,,,0.0,MS1_match,QLJNETOQFQXTLI-WMYFGKAISA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ethylamine,520.194461844,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3555,2339,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ammonium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 3556,2339,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ammonium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 3557,2339,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 3558,2339,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 3559,2339,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 3560,2339,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 3561,2338,-1,,,,0.0,MS1_match,JMGSTZUVIHCAAA-UHFFFAOYSA-N,"InChI=1S/C19H24O8/c1-7-13(22)17-6-18(7,26)10(21)5-8(17)19-4-3-9(20)16(2,15(25)27-19)12(19)11(17)14(23)24/h8-13,20-22,26H,1,3-6H2,2H3,(H,23,24)",C=C1C(O)C23CC1(O)C(O)CC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O8,pos_1_1proton1ethylamine,380.147117728,JMGSTZUVIHCAAA,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3562,2338,-1,,,,0.0,MS1_match,JMGSTZUVIHCAAA-UHFFFAOYSA-N,"InChI=1S/C19H24O8/c1-7-13(22)17-6-18(7,26)10(21)5-8(17)19-4-3-9(20)16(2,15(25)27-19)12(19)11(17)14(23)24/h8-13,20-22,26H,1,3-6H2,2H3,(H,23,24)",C=C1C(O)C23CC1(O)C(O)CC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O8,pos_1_1proton1ethylamine,380.147117728,JMGSTZUVIHCAAA,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3563,2338,-1,,,,0.0,MS1_match,JMGSTZUVIHCAAA-VXURTKDUSA-N,"InChI=1S/C19H24O8/c1-7-13(22)17-6-18(7,26)10(21)5-8(17)19-4-3-9(20)16(2,15(25)27-19)12(19)11(17)14(23)24/h8-13,20-22,26H,1,3-6H2,2H3,(H,23,24)/t8-,9+,10+,11-,12-,13-,16-,17-,18+,19-/m1/s1",C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O8,pos_1_1proton1ethylamine,380.147117728,JMGSTZUVIHCAAA,Terpenoids,Diterpenoids,Gibberellins,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 3564,2338,-1,,,,0.0,MS1_match,JMGSTZUVIHCAAA-VXURTKDUSA-N,"InChI=1S/C19H24O8/c1-7-13(22)17-6-18(7,26)10(21)5-8(17)19-4-3-9(20)16(2,15(25)27-19)12(19)11(17)14(23)24/h8-13,20-22,26H,1,3-6H2,2H3,(H,23,24)/t8-,9+,10+,11-,12-,13-,16-,17-,18+,19-/m1/s1",C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O8,pos_1_1proton1ethylamine,380.147117728,JMGSTZUVIHCAAA,Terpenoids,Diterpenoids,Gibberellins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3565,2337,354,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,XOCBTSXQUYSHOW-LGDJLJBTSA-N,"InChI=1S/C26H42O8/c1-23(2)16-6-9-25-10-14(4-5-17(25)24(16,3)8-7-18(23)28)26(32,12-25)13-33-22-21(31)20(30)19(29)15(11-27)34-22/h14-17,19-22,27,29-32H,4-13H2,1-3H3/t14-,15-,16-,17+,19-,20+,21-,22-,24-,25+,26+/m1/s1",CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3,C26H42O8,pos_1_1proton1methanol,482.287968304,XOCBTSXQUYSHOW,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,3,7.5 3566,2336,-1,,,,0.0,MS1_match,WTEVQBCEXWBHNA-YFHOEESVSA-N,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-",CC(C)=CCC/C(C)=C\C=O,C10H16O,pos_2MHNH3,152.120115132,WTEVQBCEXWBHNA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3567,2336,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1acetonitrile,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3568,2334,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2680145,ISDB,KCYOZNARADAZIZ-GZIUEBSLSA-N,"InChI=1S/C40H56O3/c1-28(18-13-20-30(3)33-24-35-37(5,6)22-15-23-39(35,9)42-33)16-11-12-17-29(2)19-14-21-31(4)34-25-36-38(7,8)26-32(41)27-40(36,10)43-34/h11-14,16-21,24-25,32-34,41H,15,22-23,26-27H2,1-10H3/b12-11+,18-13+,19-14+,28-16+,29-17+,30-20+,31-21+/t32-,33+,34+,39-,40+/m1/s1",CC(/C=C/C=C(\C)[C@@H]1C=C2C(C)(C)CCC[C@@]2(C)O1)=C\C=C\C=C(C)\C=C\C=C(/C)[C@@H]1C=C2C(C)(C)C[C@@H](O)C[C@]2(C)O1,C40H56O3,,584.422945652,KCYOZNARADAZIZ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,10.572057962417603 3569,2333,-1,,,,0.0,MS1_match,ULSUXBXHSYSGDT-UHFFFAOYSA-N,"InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3",COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1,C20H20O7,pos_1_1sodium,372.1209029799999,ULSUXBXHSYSGDT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3570,2332,291,Terpenoids,Diterpenoids,Villanovane diterpenoids,0.0,MS1_match,BVROVRQTLAUYFB-DDRXLDBXSA-N,"InChI=1S/C35H56O8/c1-19-10-15-35(29(39)40)17-16-32(5)20(27(35)34(19,7)41)8-9-23-31(4)13-12-24(30(2,3)22(31)11-14-33(23,32)6)43-28-26(38)25(37)21(18-36)42-28/h8,19,21-28,36-38,41H,9-18H2,1-7H3,(H,39,40)/t19-,21-,22+,23-,24+,25-,26+,27-,28-,31+,32-,33-,34-,35+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C35H56O8,pos_1_1proton1ethylamine,604.397518752,BVROVRQTLAUYFB,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,1,6.5 3571,2332,291,Terpenoids,Diterpenoids,Villanovane diterpenoids,0.0,MS1_match,MFIXLWYJTVEVGO-YHGWSDCJSA-N,"InChI=1S/C35H56O8/c1-19-10-15-35(29(39)40)17-16-32(5)20(27(35)34(19,7)41)8-9-23-31(4)13-12-24(30(2,3)22(31)11-14-33(23,32)6)43-28-26(38)25(37)21(36)18-42-28/h8,19,21-28,36-38,41H,9-18H2,1-7H3,(H,39,40)/t19-,21+,22+,23-,24+,25+,26-,27-,28+,31+,32-,33-,34-,35+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C35H56O8,pos_1_1proton1ethylamine,604.397518752,MFIXLWYJTVEVGO,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,1,6.5 3572,2332,291,Terpenoids,Diterpenoids,Villanovane diterpenoids,0.0,MS1_match,GKSMIYCLWJISJQ-IOIGEALESA-N,"InChI=1S/C35H56O8/c1-30(2)14-16-35(29(40)41)17-15-33(6)19(24(35)27(30)39)8-9-22-32(5)12-11-23(31(3,4)21(32)10-13-34(22,33)7)43-28-26(38)25(37)20(36)18-42-28/h8,20-28,36-39H,9-18H2,1-7H3,(H,40,41)/t20-,21+,22+,23-,24+,25-,26+,27-,28-,32-,33+,34+,35-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C35H56O8,pos_1_1proton1ethylamine,604.397518752,GKSMIYCLWJISJQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,1,6.5 3573,2331,820,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,pos_2_1magnesium,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 3574,2331,820,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,pos_2_1magnesium,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3575,2331,820,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,pos_2_1magnesium,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3576,2328,-1,,,,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1proton2acetonitrile,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3577,2328,-1,,,,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton2acetonitrile,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3578,2328,-1,,,,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton2acetonitrile,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3579,2326,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3580,2326,-1,,,,0.0,MS1_match,AYQPVPFZWIQERS-VOTSOKGWSA-N,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+",CCCCC/C=C/CO,C8H16O,pos_2MHCH3CN,128.120115132,AYQPVPFZWIQERS,Fatty acids,Fatty acyls,Fatty alcohols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3581,2326,-1,,,,0.0,MS1_match,NUJGJRNETVAIRJ-UHFFFAOYSA-N,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3",CCCCCCCC=O,C8H16O,pos_2MHCH3CN,128.120115132,NUJGJRNETVAIRJ,Fatty acids,Fatty acyls,Fatty aldehydes,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3582,2326,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 3583,2326,-1,,,,0.0,MS1_match,VSMOENVRRABVKN-UHFFFAOYSA-N,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3",C=CC(O)CCCCC,C8H16O,pos_2MHCH3CN,128.120115132,VSMOENVRRABVKN,Fatty acids,Fatty acyls,Fatty alcohols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3584,2326,-1,,,,0.0,MS1_match,VSMOENVRRABVKN-MRVPVSSYSA-N,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1",C=C[C@@H](O)CCCCC,C8H16O,pos_2MHCH3CN,128.120115132,VSMOENVRRABVKN,Fatty acids,Fatty acyls,Fatty alcohols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3585,2326,-1,,,,0.0,MS1_match,BSAIUMLZVGUGKX-BQYQJAHWSA-N,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+",CCCCCC/C=C/C=O,C9H16O,pos_2MHNH3,140.120115132,BSAIUMLZVGUGKX,Fatty acids,Fatty acyls,Fatty aldehydes,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3586,2326,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3587,2326,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 3588,2326,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3589,2326,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-UHFFFAOYSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)",CCCCCC=CCC=CCCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 3590,2326,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 3591,2326,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 3592,2326,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 3593,2326,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 3594,2326,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-IXWMQOLASA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9+",CCCCC/C=C\C/C=C/CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3595,2324,-1,,,,0.0,MS1_match,JAZBEHYOTPTENJ-UHFFFAOYSA-N,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O,C20H30O2,pos_1_1proton1methanol,302.2245802,JAZBEHYOTPTENJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,0,7.0 3596,2323,-1,,,,0.468291,ISDB,HUSISCNTLUEZCN-JWRMENJJSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3+,7-6+,10-9-/t21-,22+,24-,25-,26+,27+/m0/s1",CC/C=C/C/C=C/C/C=C\CCCCCCCC(=O)OC[C@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.3141830519999,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Vitis heyneana,568884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis heyneana'],4,0,5.873164057731628 3597,2323,-1,,,,0.468291,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Isatis tinctoria,631500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Isatideae'],['Isatis'],['Isatis tinctoria'],4,0,5.873164057731628 3598,2323,-1,,,,0.468291,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,0,5.873164057731628 3599,2323,-1,,,,0.468291,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Clinacanthus nutans,129764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Justicieae'],['Clinacanthus'],['Clinacanthus nutans'],4,0,5.873164057731628 3600,2323,-1,,,,0.468291,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Guapira graciliflora,6038299.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Nyctaginaceae'],['Unknown'],['Guapira'],['Guapira graciliflora'],4,0,5.873164057731628 3601,2323,-1,,,,0.468291,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Sonchus arvensis,761934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus arvensis'],4,0,5.873164057731628 3602,2323,-1,,,,0.468291,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Sonchus mauritanicus,572923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus mauritanicus'],4,0,5.873164057731628 3603,2321,-1,,,,0.0,MS1_match,MXKKFADFYXJREN-JXCVSLFXSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton1dmso,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 3604,2321,-1,,,,0.0,MS1_match,MXKKFADFYXJREN-JXCVSLFXSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton1dmso,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 3605,2321,-1,,,,0.0,MS1_match,MXKKFADFYXJREN-LQBIBLAPSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@]23Oc4cc(O)cc(O)c4[C@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton1dmso,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3606,2321,-1,,,,0.0,MS1_match,MXKKFADFYXJREN-LQBIBLAPSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@]23Oc4cc(O)cc(O)c4[C@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton1dmso,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3607,2321,-1,,,,0.0,MS1_match,MXKKFADFYXJREN-JXCVSLFXSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton1dmso,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 3608,2321,-1,,,,0.0,MS1_match,MXKKFADFYXJREN-JXCVSLFXSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton1dmso,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus jacquemontii,307268.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus jacquemontii'],8,0,8.0 3609,2321,-1,,,,0.0,MS1_match,MXKKFADFYXJREN-JXCVSLFXSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton1dmso,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 3610,2321,-1,,,,0.0,MS1_match,MXKKFADFYXJREN-JXCVSLFXSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton1dmso,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus jacquemontii,307268.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus jacquemontii'],8,0,8.0 3611,2321,-1,,,,0.0,MS1_match,XYEGSUHAUOGTBV-OUECKCITSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(41-30)26(24-20(36)8-15(32)9-23(24)40-30)25-21(37)11-18(34)16-10-22(38)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,22,26-27,29,31-38H,10H2/t22-,26+,27-,29+,30+/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(O)cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)[C@@H]2O3)cc1,C30H24O11,pos_1_1proton1dmso,560.1318615879998,XYEGSUHAUOGTBV,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 3612,2321,-1,,,,0.0,MS1_match,MXKKFADFYXJREN-LQBIBLAPSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@]23Oc4cc(O)cc(O)c4[C@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton1dmso,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3613,2321,-1,,,,0.0,MS1_match,MXKKFADFYXJREN-JXCVSLFXSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton1dmso,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 3614,2321,-1,,,,0.0,MS1_match,MXKKFADFYXJREN-JXCVSLFXSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton1dmso,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus jacquemontii,307268.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus jacquemontii'],8,0,8.0 3615,2321,-1,,,,0.0,MS1_match,MXKKFADFYXJREN-JXCVSLFXSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton1dmso,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 3616,2321,-1,,,,0.0,MS1_match,MXKKFADFYXJREN-LQBIBLAPSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@]23Oc4cc(O)cc(O)c4[C@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton1dmso,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3617,2321,-1,,,,0.0,MS1_match,MXKKFADFYXJREN-LQBIBLAPSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@]23Oc4cc(O)cc(O)c4[C@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton1dmso,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3618,2321,-1,,,,0.0,MS1_match,MXKKFADFYXJREN-LQBIBLAPSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@]23Oc4cc(O)cc(O)c4[C@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton1dmso,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3619,2320,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,AGBINTPCVYIOJW-NJNULVQQSA-N,"InChI=1S/C11H17NO8/c12-1-6-11(3-14,20-6)4-18-10-9(17)8(16)7(15)5(2-13)19-10/h5-10,13-17H,2-4H2/t5-,6+,7-,8+,9-,10-,11-/m1/s1",N#C[C@@H]1O[C@]1(CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO8,pos_1_1proton1isopropanol,291.095416504,AGBINTPCVYIOJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Exochorda serratifolia,717971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Exochorda'],['Exochorda serratifolia'],6,0,6.0 3620,2320,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,AGBINTPCVYIOJW-NJNULVQQSA-N,"InChI=1S/C11H17NO8/c12-1-6-11(3-14,20-6)4-18-10-9(17)8(16)7(15)5(2-13)19-10/h5-10,13-17H,2-4H2/t5-,6+,7-,8+,9-,10-,11-/m1/s1",N#C[C@@H]1O[C@]1(CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO8,pos_1_1proton1isopropanol,291.095416504,AGBINTPCVYIOJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Exochorda giraldii,207985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Exochorda'],['Exochorda giraldii'],6,0,6.0 3621,2320,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,AGBINTPCVYIOJW-NJNULVQQSA-N,"InChI=1S/C11H17NO8/c12-1-6-11(3-14,20-6)4-18-10-9(17)8(16)7(15)5(2-13)19-10/h5-10,13-17H,2-4H2/t5-,6+,7-,8+,9-,10-,11-/m1/s1",N#C[C@@H]1O[C@]1(CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO8,pos_1_1proton1isopropanol,291.095416504,AGBINTPCVYIOJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Rhodotypos scandens,156934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Rhodotypos'],['Rhodotypos scandens'],6,0,6.0 3622,2319,607,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,XNGZKGIFXTWBFN-JYHBIOJMSA-N,"InChI=1S/C30H24O12/c31-12-4-17(33)13-7-23-28(39-21(13)5-12)29-10-30(38,42-23)24(37)8-15(29)25-22(41-29)9-18(34)14-6-20(36)26(40-27(14)25)11-1-2-16(32)19(35)3-11/h1-5,8-9,20,23,26,28,31-36,38H,6-7,10H2/t20-,23-,26+,28-,29+,30+/m1/s1",O=C1C=C2c3c(cc(O)c4c3O[C@@H](c3ccc(O)c(O)c3)[C@H](O)C4)O[C@@]23C[C@]1(O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]13,C30H24O12,pos_1_1proton,576.126776208,XNGZKGIFXTWBFN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 3623,2319,607,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-VCFSXNJSSA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27+,29-,30+/m0/s1",Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C4,C30H24O12,pos_1_1proton,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 3624,2319,607,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-VCFSXNJSSA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27+,29-,30+/m0/s1",Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C4,C30H24O12,pos_1_1proton,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 3625,2319,607,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,XNGZKGIFXTWBFN-JYHBIOJMSA-N,"InChI=1S/C30H24O12/c31-12-4-17(33)13-7-23-28(39-21(13)5-12)29-10-30(38,42-23)24(37)8-15(29)25-22(41-29)9-18(34)14-6-20(36)26(40-27(14)25)11-1-2-16(32)19(35)3-11/h1-5,8-9,20,23,26,28,31-36,38H,6-7,10H2/t20-,23-,26+,28-,29+,30+/m1/s1",O=C1C=C2c3c(cc(O)c4c3O[C@@H](c3ccc(O)c(O)c3)[C@H](O)C4)O[C@@]23C[C@]1(O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]13,C30H24O12,pos_1_1proton,576.126776208,XNGZKGIFXTWBFN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 3626,2319,607,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MSVVDBMAVSBGAQ-OUECKCITSA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-23(8-13)41-30(12-2-4-16(33)19(36)6-12)29(42-30)26(24)25-21(38)10-17(34)14-9-22(39)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-27,29,31-39H,9H2/t22-,26+,27-,29+,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)O[C@H]1[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H24O12,pos_1_1proton,576.1267762079998,MSVVDBMAVSBGAQ,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 3627,2316,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,ORJDDOBAOGKRJV-CQSZACIVSA-N,"InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m1/s1",COc1cc(O)c2c(c1)O[C@@H](c1ccccc1)CC2=O,C16H14O4,pos_1_1proton1isopropanol,270.089208928,ORJDDOBAOGKRJV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,1,8.5 3628,2316,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,ORJDDOBAOGKRJV-UHFFFAOYSA-N,"InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3",COc1cc(O)c2c(c1)OC(c1ccccc1)CC2=O,C16H14O4,pos_1_1proton1isopropanol,270.089208928,ORJDDOBAOGKRJV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus,731578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Unknown'],8,1,8.5 3629,2316,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,ORJDDOBAOGKRJV-CQSZACIVSA-N,"InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m1/s1",COc1cc(O)c2c(c1)O[C@@H](c1ccccc1)CC2=O,C16H14O4,pos_1_1proton1isopropanol,270.089208928,ORJDDOBAOGKRJV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,1,8.5 3630,2315,-1,,,,0.0,MS1_match,HRUPKKAITRRGMV-GLEFEWGCSA-N,"InChI=1S/C21H16O13/c1-5(22)31-10-4-30-21(16(27)14(10)25)32-9-3-7-12-11-6(19(28)34-18(12)15(9)26)2-8(23)13(24)17(11)33-20(7)29/h2-3,10,14,16,21,23-27H,4H2,1H3/t10-,14-,16+,21-/m0/s1",CC(=O)O[C@H]1CO[C@@H](Oc2cc3c(=O)oc4c(O)c(O)cc5c(=O)oc(c2O)c3c45)[C@H](O)[C@H]1O,C21H16O13,pos_1_1sodium,476.059090572,HRUPKKAITRRGMV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus idaeus,156929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus idaeus'],6,0,6.0 3631,2313,1,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.27503088,ISDB,LKCOZWLUAKSRQM-UMAWSMADSA-N,"InChI=1S/C24H20O9/c25-14-3-1-10(5-17(14)28)12-8-21(31)32-20-9-16(27)13-7-19(30)23(33-24(13)22(12)20)11-2-4-15(26)18(29)6-11/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19-,23-/m1/s1",O=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1,C24H20O9,,452.1107322199999,LKCOZWLUAKSRQM,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,8.600123524665833 3632,2312,-1,,,,0.37074798,ISDB,DUKANLAALCEHLW-OAHLLOKOSA-N,"InChI=1S/C15H22O/c1-11(2)13-7-9-15(3)8-6-12(10-16)4-5-14(13)15/h6,10-11H,4-5,7-9H2,1-3H3/t15-/m1/s1",CC(C)C1=C2CCC(C=O)=CC[C@]2(C)CC1,C15H22O,,218.167065324,DUKANLAALCEHLW,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,7.482991933822632 3633,2309,470,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6360273,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,12.044109106063843 3634,2309,470,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6360273,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,12.044109106063843 3635,2309,470,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6360273,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,12.044109106063843 3636,2308,-1,,,,0.36296055,ISDB,XWKFUHRLLPQKDR-UHFFFAOYSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-10-16(19)11-8-7-9-15-12-13-17(20)18(21)14-15/h12-14,20-21H,2-11H2,1H3",CCCCCCCC(=O)CCCCc1ccc(O)c(O)c1,C18H28O3,,292.203844756,XWKFUHRLLPQKDR,Polyketides,Aromatic polyketides,Catechols with side chains,Capitanopsis albida,6084167.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Capitanopsis'],['Capitanopsis albida'],4,0,5.451842188835144 3637,2307,-1,,,,0.0,MS1_match,BTXWOKJOAGWCSN-JBYJGCOVSA-N,"InChI=1S/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,BTXWOKJOAGWCSN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 3638,2307,-1,,,,0.0,MS1_match,BTXWOKJOAGWCSN-JBYJGCOVSA-N,"InChI=1S/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,BTXWOKJOAGWCSN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Polylepis australis,664137.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis australis'],6,0,6.0 3639,2307,-1,,,,0.0,MS1_match,BTXWOKJOAGWCSN-JBYJGCOVSA-N,"InChI=1S/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,BTXWOKJOAGWCSN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 3640,2307,-1,,,,0.0,MS1_match,BTXWOKJOAGWCSN-JBYJGCOVSA-N,"InChI=1S/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,BTXWOKJOAGWCSN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Polylepis australis,664137.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis australis'],6,0,6.0 3641,2307,-1,,,,0.0,MS1_match,YCBSMEKEDOHEQI-QHQGJMPNSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 3642,2307,-1,,,,0.0,MS1_match,YCBSMEKEDOHEQI-QHQGJMPNSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 3643,2307,-1,,,,0.0,MS1_match,YCBSMEKEDOHEQI-QHQGJMPNSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Polylepis australis,664137.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis australis'],6,0,6.0 3644,2307,-1,,,,0.0,MS1_match,YCBSMEKEDOHEQI-PBHOCJRSSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23+,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.37599546,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Kageneckia oblonga,616590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Kageneckia'],['Kageneckia oblonga'],6,0,6.0 3645,2307,-1,,,,0.0,MS1_match,YCBSMEKEDOHEQI-QHQGJMPNSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 3646,2307,-1,,,,0.0,MS1_match,YCBSMEKEDOHEQI-QHQGJMPNSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 3647,2307,-1,,,,0.0,MS1_match,YCBSMEKEDOHEQI-QHQGJMPNSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Polylepis australis,664137.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis australis'],6,0,6.0 3648,2307,-1,,,,0.0,MS1_match,YCBSMEKEDOHEQI-PBHOCJRSSA-N,"InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23+,24+,25+,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O3,pos_1_minus1proton1iron,470.37599546,YCBSMEKEDOHEQI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Kageneckia oblonga,616590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Kageneckia'],['Kageneckia oblonga'],6,0,6.0 3649,2307,-1,,,,0.0,MS1_match,ZOFPRQJBCAHQCG-RBJUHRAPSA-N,"InChI=1S/C31H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31(33)34-28-21-22-29-24-26-30(32)27-25-29/h9-10,21-22,24-27,32H,2-8,11-20,23,28H2,1H3/b10-9-,22-21+",CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC/C=C/c1ccc(O)cc1,C31H50O3,pos_1_minus1proton1iron,470.37599546,ZOFPRQJBCAHQCG,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 3650,2307,-1,,,,0.0,MS1_match,ZOFPRQJBCAHQCG-RBJUHRAPSA-N,"InChI=1S/C31H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31(33)34-28-21-22-29-24-26-30(32)27-25-29/h9-10,21-22,24-27,32H,2-8,11-20,23,28H2,1H3/b10-9-,22-21+",CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC/C=C/c1ccc(O)cc1,C31H50O3,pos_1_minus1proton1iron,470.37599546,ZOFPRQJBCAHQCG,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 3651,2307,-1,,,,0.0,MS1_match,XNZIMRUZBOZIBC-JVRMVBBZSA-N,"InChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,XNZIMRUZBOZIBC,Terpenoids,Triterpenoids,Lupane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 3652,2307,-1,,,,0.0,MS1_match,XNZIMRUZBOZIBC-JVRMVBBZSA-N,"InChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C31H50O3,pos_1_minus1proton1iron,470.3759954599999,XNZIMRUZBOZIBC,Terpenoids,Triterpenoids,Lupane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 3653,2306,-1,,,,0.0,MS1_match,IFYYFLINQYPWGJ-UHFFFAOYSA-N,"InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3",CCCCCCC1CCC(=O)O1,C10H18O2,pos_2MHCH3CN,170.130679816,IFYYFLINQYPWGJ,Fatty acids,Fatty esters,Lactones,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 3654,2306,-1,,,,0.0,MS1_match,UEDNMMNLPZRYMI-UHFFFAOYSA-N,"InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5,7-8H,4,6,9H2,1-3H3",CC=C(C)C(=O)OCC=CCCC,C11H18O2,pos_2MHNH3,182.130679816,UEDNMMNLPZRYMI,Fatty acids,Fatty esters,Wax monoesters,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3655,2304,-1,,,,0.30830592,ISDB,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,9.233223676681519 3656,2304,-1,,,,0.30830592,ISDB,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,9.233223676681519 3657,2302,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 3658,2302,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 3659,2302,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 3660,2302,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 3661,2302,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3662,2302,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 3663,2302,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3664,2302,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 3665,2302,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 3666,2301,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,STCAYONHVRVXOL-AZLQIUJGSA-N,"InChI=1S/C14H26O9/c1-17-9-7(15)5-22-14(12(9)20-4)23-8-6-21-13(16)11(19-3)10(8)18-2/h7-16H,5-6H2,1-4H3/t7-,8-,9+,10+,11-,12-,13-,14-/m1/s1",CO[C@@H]1[C@@H](OC)[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OC)[C@H]2OC)OC[C@H]1O,C14H26O9,pos_1_1proton1acetonitrile,338.157682412,STCAYONHVRVXOL,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3667,2300,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.4458018,ISDB,MPSGDHOYFIUPSO-MDAKJLGTSA-N,"InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H56O14,,676.367006472,MPSGDHOYFIUPSO,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Guapira graciliflora,6038299.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Nyctaginaceae'],['Unknown'],['Guapira'],['Guapira graciliflora'],4,2,6.783207178115845 3668,2300,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.4458018,ISDB,MPSGDHOYFIUPSO-MDAKJLGTSA-N,"InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H56O14,,676.367006472,MPSGDHOYFIUPSO,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],4,2,6.783207178115845 3669,2300,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.4458018,ISDB,MPSGDHOYFIUPSO-MDAKJLGTSA-N,"InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H56O14,,676.367006472,MPSGDHOYFIUPSO,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Sonchus arvensis,761934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus arvensis'],4,2,6.783207178115845 3670,2300,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.4458018,ISDB,MPSGDHOYFIUPSO-MDAKJLGTSA-N,"InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H56O14,,676.367006472,MPSGDHOYFIUPSO,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Sonchus mauritanicus,572923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus mauritanicus'],4,2,6.783207178115845 3671,2300,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.4458018,ISDB,MPSGDHOYFIUPSO-MDAKJLGTSA-N,"InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H56O14,,676.367006472,MPSGDHOYFIUPSO,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Premna microphylla,503286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Premna'],['Premna microphylla'],4,2,6.783207178115845 3672,2298,-1,,,,0.0,MS1_match,ONKDPBFYYUGYFL-BBEQLWDVSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-30,37-42H,2,9-17H2,1,3-7H3/t18-,21-,22-,23+,24-,25+,26-,27+,28-,29-,30+,33+,34-,35-,36+/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_1proton1acetonitrile,632.392433372,ONKDPBFYYUGYFL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,0,6.0 3673,2298,-1,,,,0.0,MS1_match,ONKDPBFYYUGYFL-JTWKOTESSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-30,37-42H,2,9-17H2,1,3-7H3/t18-,21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_1proton1acetonitrile,632.392433372,ONKDPBFYYUGYFL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 3674,2298,-1,,,,0.0,MS1_match,ONKDPBFYYUGYFL-JTWKOTESSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-30,37-42H,2,9-17H2,1,3-7H3/t18-,21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_1proton1acetonitrile,632.392433372,ONKDPBFYYUGYFL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 3675,2298,-1,,,,0.0,MS1_match,KGDLSCYYZVWTEV-UHFFFAOYSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8-9,18-19,21-24,26-30,37-42H,10-17H2,1-7H3",CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=C2C1C)C=CC1C2(C)CC(O)C(O)C(C)(C)C2CCC13C,C36H56O9,pos_1_1proton1acetonitrile,632.392433372,KGDLSCYYZVWTEV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 3676,2298,-1,,,,0.0,MS1_match,KGDLSCYYZVWTEV-WNFJHCJXSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8-9,18-19,21-24,26-30,37-42H,10-17H2,1-7H3/t18-,19+,21-,22-,23+,24-,26-,27+,28-,29-,30+,33+,34-,35-,36+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=C2[C@H]1C)C=C[C@@H]1[C@@]2(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]2CC[C@]13C,C36H56O9,pos_1_1proton1acetonitrile,632.392433372,KGDLSCYYZVWTEV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 3677,2298,-1,,,,0.0,MS1_match,GWYQGWNTTYSJEW-WAZFAAFDSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,21-30,37-42H,9-17H2,1-7H3/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1,C36H56O9,pos_1_1proton1acetonitrile,632.392433372,GWYQGWNTTYSJEW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 3678,2298,-1,,,,0.0,MS1_match,GWYQGWNTTYSJEW-UHFFFAOYSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,21-30,37-42H,9-17H2,1-7H3",CC1=C(C)C2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CC1,C36H56O9,pos_1_1proton1acetonitrile,632.392433372,GWYQGWNTTYSJEW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 3679,2298,-1,,,,0.0,MS1_match,OFWIRPXDLBDEFC-NRAYHWQBSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-24,26-30,37-42H,9-17H2,1-7H3/t18-,21-,22-,23+,24-,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_1proton1acetonitrile,632.3924333719999,OFWIRPXDLBDEFC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 3680,2298,-1,,,,0.0,MS1_match,OFWIRPXDLBDEFC-NRAYHWQBSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-24,26-30,37-42H,9-17H2,1-7H3/t18-,21-,22-,23+,24-,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_1proton1acetonitrile,632.3924333719999,OFWIRPXDLBDEFC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 3681,2297,191,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,0.38078254,ISDB,FPIPGXGPPPQFEQ-UHFFFAOYSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3",CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCO,C20H30O,,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Hippophae rhamnoides,623185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Elaeagnaceae'],['Unknown'],['Unknown'],['Hippophae rhamnoides'],5,1,7.023130178451538 3682,2292,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 3683,2292,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 3684,2289,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_2MNa,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 3685,2289,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_2MNa,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3686,2289,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_2MNa,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 3687,2289,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_2MNa,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 3688,2289,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_2MNa,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3689,2289,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_2MNa,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3690,2289,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_2MNa,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 3691,2289,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_2MNa,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3692,2289,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-UHFFFAOYSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)",O=C(O)C=Cc1ccc(O)c(O)c1,C9H8O4,pos_2MNa,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 3693,2287,582,Shikimates and Phenylpropanoids,Lignans,Simple coumarins,0.0,MS1_match,UTPBCUCEDIRSFI-KHLXKNNCSA-N,"InChI=1S/C27H38O12/c1-34-19-7-14(8-20(35-2)24(19)31)5-16(11-28)17(12-38-27-26(33)23(30)18(29)13-39-27)6-15-9-21(36-3)25(32)22(10-15)37-4/h7-10,16-18,23,26-33H,5-6,11-13H2,1-4H3/t16-,17-,18-,23+,26-,27-/m1/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C27H38O12,pos_2_2sodium,554.236326656,UTPBCUCEDIRSFI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,2,10.0 3694,2285,-1,,,,0.0,MS1_match,CCLFCEDTWDCXKG-AOEPVMTBSA-N,"InChI=1S/C20H30O4/c1-6-20(5,23)19(22)24-11-13(3)15-8-7-12(2)16-10-18(21)14(4)17(16)9-15/h12,15-16,23H,3,6-11H2,1-2,4-5H3/t12-,15-,16-,20+/m1/s1",C=C(COC(=O)[C@@](C)(O)CC)[C@@H]1CC[C@@H](C)[C@H]2CC(=O)C(C)=C2C1,C20H30O4,pos_1_minus1proton1iron,334.21440944,CCLFCEDTWDCXKG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,0,7.0 3695,2285,-1,,,,0.0,MS1_match,VOHXZWFGTMZFIP-VMVFICBVSA-N,"InChI=1S/C20H30O4/c1-10(2)7-17(21)24-16-8-12(5)18-15(9-14(16)11(3)4)13(6)19(22)20(18)23/h10,12,14,16,18,20,23H,3,7-9H2,1-2,4-6H3/t12-,14-,16-,18-,20-/m1/s1",C=C(C)[C@H]1CC2=C(C)C(=O)[C@H](O)[C@@H]2[C@H](C)C[C@H]1OC(=O)CC(C)C,C20H30O4,pos_1_minus1proton1iron,334.21440944,VOHXZWFGTMZFIP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,0,7.0 3696,2285,-1,,,,0.0,MS1_match,GIJMOEIBTVWHCV-DAXOMENPSA-N,"InChI=1S/C20H30O4/c1-12-6-7-15(8-17-14(3)18(21)9-16(12)17)13(2)11-24-19(22)10-20(4,5)23/h12,15-16,23H,2,6-11H2,1,3-5H3/t12-,15-,16-/m1/s1",C=C(COC(=O)CC(C)(C)O)[C@@H]1CC[C@@H](C)[C@H]2CC(=O)C(C)=C2C1,C20H30O4,pos_1_minus1proton1iron,334.21440944,GIJMOEIBTVWHCV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,0,7.0 3697,2285,-1,,,,0.0,MS1_match,SWWHKTDRKCDGNL-IZDJOXEWSA-N,"InChI=1S/C20H30O4/c1-12-6-7-13-8-15-14(11-24-17(22)10-18(2,3)23)16(21)9-20(12,15)19(13,4)5/h12-13,23H,6-11H2,1-5H3/t12-,13-,20+/m1/s1",C[C@@H]1CC[C@@H]2CC3=C(COC(=O)CC(C)(C)O)C(=O)C[C@@]31C2(C)C,C20H30O4,pos_1_minus1proton1iron,334.21440944,SWWHKTDRKCDGNL,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,0,7.0 3698,2283,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,XEEBIXBFIAEQFZ-AJAJDKFCSA-N,"InChI=1S/C20H26O11/c21-8-11-14(23)17(26)19(29-11)28-9-12-15(24)16(25)18(27)20(30-12)31-13(22)7-6-10-4-2-1-3-5-10/h1-7,11-12,14-21,23-27H,8-9H2/b7-6+/t11-,12-,14+,15-,16+,17-,18-,19+,20+/m1/s1",O=C(/C=C/c1ccccc1)O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C20H26O11,pos_1_1proton1ammonium,442.14751165199976,XEEBIXBFIAEQFZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria chiloensis,478620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria chiloensis'],7,1,7.5 3699,2283,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,XEEBIXBFIAEQFZ-AJAJDKFCSA-N,"InChI=1S/C20H26O11/c21-8-11-14(23)17(26)19(29-11)28-9-12-15(24)16(25)18(27)20(30-12)31-13(22)7-6-10-4-2-1-3-5-10/h1-7,11-12,14-21,23-27H,8-9H2/b7-6+/t11-,12-,14+,15-,16+,17-,18-,19+,20+/m1/s1",O=C(/C=C/c1ccccc1)O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C20H26O11,pos_1_1proton1ammonium,442.14751165199976,XEEBIXBFIAEQFZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria chiloensis,478620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria chiloensis'],7,1,7.5 3700,2282,-1,,,,0.0,MS1_match,RFGSFRBMLXKAEM-OHHFTTEBSA-N,"InChI=1S/C40H52O24/c1-11-22(43)27(48)31(52)37(57-11)56-10-20-25(46)30(51)36(64-39-33(54)29(50)24(45)13(3)59-39)40(62-20)63-35-26(47)21-17(42)8-15(60-38-32(53)28(49)23(44)12(2)58-38)9-19(21)61-34(35)14-5-6-16(41)18(7-14)55-4/h5-9,11-13,20,22-25,27-33,36-46,48-54H,10H2,1-4H3/t11-,12-,13-,20+,22-,23-,24-,25+,27+,28+,29+,30-,31+,32+,33+,36+,37+,38-,39-,40-/m0/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C40H52O24,pos_2_2sodium,916.284852544,RFGSFRBMLXKAEM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],6,0,6.0 3701,2281,900,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,KSNLTHGWURXRJK-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-10(18)8(3)4-11(9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C(C)C)cc1O,C16H24O7,pos_1_1proton1ethylamine,328.152203108,KSNLTHGWURXRJK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,3,7.5 3702,2281,900,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,KSNLTHGWURXRJK-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-10(18)8(3)4-11(9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C(C)C)cc1O,C16H24O7,pos_1_1proton1ethylamine,328.152203108,KSNLTHGWURXRJK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,3,7.5 3703,2281,900,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,XFPSRAYOBUHKRV-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O7,pos_1_1proton1ethylamine,328.152203108,XFPSRAYOBUHKRV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,3,7.5 3704,2281,900,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,XFPSRAYOBUHKRV-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O7,pos_1_1proton1ethylamine,328.152203108,XFPSRAYOBUHKRV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,3,7.5 3705,2280,843,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,MZNYSUAHCQZTCI-JTVAWUQMSA-N,"InChI=1S/C25H32O10/c1-32-20-4-3-12(6-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19+,22-,23-,24+,25+/m0/s1",COc1ccc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1O,C25H32O10,pos_1_1proton1ammonium,492.199547224,MZNYSUAHCQZTCI,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 3706,2278,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.46795365,ISDB,HQPQTQQUHPFUOA-ZCPYHVQDSA-N,"InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+/t25-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)C(C)(C)C[C@H](O)C1,C27H36O2,,392.271530392,HQPQTQQUHPFUOA,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,1,6.371814608573914 3707,2277,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CAENGMLSMONNBU-QLYOBGCHSA-N,"InChI=1S/C27H30O16/c1-8-23(42-27-21(37)19(35)17(33)15(7-28)41-27)20(36)22(38)26(39-8)43-25-18(34)16-13(32)5-10(29)6-14(16)40-24(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-23,26-33,35-38H,7H2,1H3/t8-,15+,17+,19-,20-,21+,22+,23-,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,CAENGMLSMONNBU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,3,10.5 3708,2277,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3709,2277,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3710,2275,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3711,2275,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3712,2275,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 3713,2275,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 3714,2275,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3715,2275,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3716,2275,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3717,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3718,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],8,0,8.0 3719,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,0,8.0 3720,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3721,2269,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-JXCVSLFXSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@@H]3c5c(O)cc(O)cc5O[C@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@H]2O)cc1,C30H24O10,pos_2_2proton,544.1369469679997,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 3722,2269,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-BDHPMLJSSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27+,29+,30-/m1/s1",Oc1ccc([C@@H]2Oc3c(c(O)cc4c3[C@@H]3c5c(O)cc(O)cc5O[C@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@H]2O)cc1,C30H24O10,pos_2_2proton,544.1369469679998,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 3723,2269,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-LQBIBLAPSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc(O)cc5O[C@@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@@H]2O)cc1,C30H24O10,pos_2_2proton,544.136946968,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3724,2269,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-LQBIBLAPSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc(O)cc5O[C@@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@@H]2O)cc1,C30H24O10,pos_2_2proton,544.136946968,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3725,2269,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-JXCVSLFXSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@@H]3c5c(O)cc(O)cc5O[C@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@H]2O)cc1,C30H24O10,pos_2_2proton,544.1369469679997,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 3726,2269,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-JXCVSLFXSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@@H]3c5c(O)cc(O)cc5O[C@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@H]2O)cc1,C30H24O10,pos_2_2proton,544.1369469679997,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 3727,2269,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-BDHPMLJSSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27+,29+,30-/m1/s1",Oc1ccc([C@@H]2Oc3c(c(O)cc4c3[C@@H]3c5c(O)cc(O)cc5O[C@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@H]2O)cc1,C30H24O10,pos_2_2proton,544.1369469679998,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 3728,2269,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-LQBIBLAPSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc(O)cc5O[C@@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@@H]2O)cc1,C30H24O10,pos_2_2proton,544.136946968,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3729,2269,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-LQBIBLAPSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc(O)cc5O[C@@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@@H]2O)cc1,C30H24O10,pos_2_2proton,544.136946968,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3730,2269,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-JXCVSLFXSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@@H]3c5c(O)cc(O)cc5O[C@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@H]2O)cc1,C30H24O10,pos_2_2proton,544.1369469679997,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 3731,2269,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-JXCVSLFXSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@@H]3c5c(O)cc(O)cc5O[C@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@H]2O)cc1,C30H24O10,pos_2_2proton,544.1369469679997,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 3732,2269,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-BDHPMLJSSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27+,29+,30-/m1/s1",Oc1ccc([C@@H]2Oc3c(c(O)cc4c3[C@@H]3c5c(O)cc(O)cc5O[C@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@H]2O)cc1,C30H24O10,pos_2_2proton,544.1369469679998,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 3733,2269,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-LQBIBLAPSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc(O)cc5O[C@@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@@H]2O)cc1,C30H24O10,pos_2_2proton,544.136946968,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3734,2269,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-LQBIBLAPSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc(O)cc5O[C@@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@@H]2O)cc1,C30H24O10,pos_2_2proton,544.136946968,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3735,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 3736,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,0,8.0 3737,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3738,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],8,0,8.0 3739,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3740,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 3741,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 3742,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3743,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,0,8.0 3744,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 3745,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3746,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],8,0,8.0 3747,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 3748,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 3749,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 3750,2269,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3751,2269,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-JXCVSLFXSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@@H]3c5c(O)cc(O)cc5O[C@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@H]2O)cc1,C30H24O10,pos_2_2proton,544.1369469679997,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 3752,2268,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.51396686,ISDB,QTNGLMWAVBOBLJ-RCFZRFIHSA-N,"InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C23H41NO2,,363.313729552,QTNGLMWAVBOBLJ,Terpenoids,Steroids,Pregnane steroids,Pachysandra terminalis,314708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra terminalis'],4,0,6.055867433547974 3753,2268,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.51396686,ISDB,QTNGLMWAVBOBLJ-RCFZRFIHSA-N,"InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C23H41NO2,,363.313729552,QTNGLMWAVBOBLJ,Terpenoids,Steroids,Pregnane steroids,Sarcococca ruscifolia,437379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca ruscifolia'],4,0,6.055867433547974 3754,2268,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.51396686,ISDB,QTNGLMWAVBOBLJ-RCFZRFIHSA-N,"InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C23H41NO2,,363.313729552,QTNGLMWAVBOBLJ,Terpenoids,Steroids,Pregnane steroids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],4,0,6.055867433547974 3755,2267,-1,,,,0.0,MS1_match,SHZGCJCMOBCMKK-HGVZOGFYSA-N,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1",C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O,C6H12O5,pos_2MHCH3CN,164.068473484,SHZGCJCMOBCMKK,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3756,2266,1,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,LKCOZWLUAKSRQM-UMAWSMADSA-N,"InChI=1S/C24H20O9/c25-14-3-1-10(5-17(14)28)12-8-21(31)32-20-9-16(27)13-7-19(30)23(33-24(13)22(12)20)11-2-4-15(26)18(29)6-11/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19-,23-/m1/s1",O=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1,C24H20O9,pos_1_1proton1ammonium,452.1107322199999,LKCOZWLUAKSRQM,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 3757,2266,1,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,LKCOZWLUAKSRQM-UMAWSMADSA-N,"InChI=1S/C24H20O9/c25-14-3-1-10(5-17(14)28)12-8-21(31)32-20-9-16(27)13-7-19(30)23(33-24(13)22(12)20)11-2-4-15(26)18(29)6-11/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19-,23-/m1/s1",O=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1,C24H20O9,pos_1_1proton1ammonium,452.1107322199999,LKCOZWLUAKSRQM,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 3758,2266,1,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,LKCOZWLUAKSRQM-UMAWSMADSA-N,"InChI=1S/C24H20O9/c25-14-3-1-10(5-17(14)28)12-8-21(31)32-20-9-16(27)13-7-19(30)23(33-24(13)22(12)20)11-2-4-15(26)18(29)6-11/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19-,23-/m1/s1",O=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1,C24H20O9,pos_1_1proton1ammonium,452.1107322199999,LKCOZWLUAKSRQM,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 3759,2265,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,HLVPIMVSSMJFPS-VTEUUMMASA-N,"InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H30O9,pos_1_1proton1methanol,426.1889825399999,HLVPIMVSSMJFPS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,2,9.0 3760,2265,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,HLVPIMVSSMJFPS-VTEUUMMASA-N,"InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H30O9,pos_1_1proton1methanol,426.1889825399999,HLVPIMVSSMJFPS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,2,9.0 3761,2265,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,HLVPIMVSSMJFPS-VTEUUMMASA-N,"InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H30O9,pos_1_1proton1methanol,426.1889825399999,HLVPIMVSSMJFPS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,2,9.0 3762,2264,401,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,YQZCWVJLTIJRST-IISUXQLESA-N,"InChI=1S/C29H32O15/c1-10-21(36)22(37)23(38)29(40-10)44-25-18(9-30)43-27(28(24(25)39)41-11(2)31)20-15(34)7-14(33)19-16(35)8-17(42-26(19)20)12-3-5-13(32)6-4-12/h3-8,10,18,21-25,27-30,32-34,36-39H,9H2,1-2H3/t10-,18+,21-,22+,23-,24-,25+,27-,28+,29-/m0/s1",CC(=O)O[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12,C29H32O15,pos_1_1proton1acetonitrile,620.174120324,YQZCWVJLTIJRST,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,7.5 3763,2264,401,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,HMBGJEJYEHGZIP-UHFFFAOYSA-N,"InChI=1S/C29H32O15/c1-10-21(35)22(36)25(39)29(41-10)44-26-18(9-40-11(2)30)43-28(24(38)23(26)37)20-15(33)7-14(32)19-16(34)8-17(42-27(19)20)12-3-5-13(31)6-4-12/h3-8,10,18,21-26,28-29,31-33,35-39H,9H2,1-2H3",CC(=O)OCC1OC(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O,C29H32O15,pos_1_1proton1acetonitrile,620.174120324,HMBGJEJYEHGZIP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,3,7.5 3764,2264,401,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,HMBGJEJYEHGZIP-UHFFFAOYSA-N,"InChI=1S/C29H32O15/c1-10-21(35)22(36)25(39)29(41-10)44-26-18(9-40-11(2)30)43-28(24(38)23(26)37)20-15(33)7-14(32)19-16(34)8-17(42-27(19)20)12-3-5-13(31)6-4-12/h3-8,10,18,21-26,28-29,31-33,35-39H,9H2,1-2H3",CC(=O)OCC1OC(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O,C29H32O15,pos_1_1proton1acetonitrile,620.174120324,HMBGJEJYEHGZIP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,7.5 3765,2264,401,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,HMBGJEJYEHGZIP-UHFFFAOYSA-N,"InChI=1S/C29H32O15/c1-10-21(35)22(36)25(39)29(41-10)44-26-18(9-40-11(2)30)43-28(24(38)23(26)37)20-15(33)7-14(32)19-16(34)8-17(42-27(19)20)12-3-5-13(31)6-4-12/h3-8,10,18,21-26,28-29,31-33,35-39H,9H2,1-2H3",CC(=O)OCC1OC(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O,C29H32O15,pos_1_1proton1acetonitrile,620.174120324,HMBGJEJYEHGZIP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Crataegus curvisepala,547113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus curvisepala'],6,3,7.5 3766,2262,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 3767,2262,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 3768,2262,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 3769,2262,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 3770,2262,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 3771,2262,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 3772,2262,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 3773,2258,-1,,,,0.0,MS1_match,GOZCEKPKECLKNO-RKQHYHRCSA-N,"InChI=1S/C14H18O7/c1-7(16)8-2-4-9(5-3-8)20-14-13(19)12(18)11(17)10(6-15)21-14/h2-5,10-15,17-19H,6H2,1H3/t10-,11-,12+,13-,14-/m1/s1",CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C14H18O7,pos_1_1sodium,298.105252916,GOZCEKPKECLKNO,,,,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],6,0,6.0 3774,2258,-1,,,,0.0,MS1_match,GOZCEKPKECLKNO-UHFFFAOYSA-N,"InChI=1S/C14H18O7/c1-7(16)8-2-4-9(5-3-8)20-14-13(19)12(18)11(17)10(6-15)21-14/h2-5,10-15,17-19H,6H2,1H3",CC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,C14H18O7,pos_1_1sodium,298.105252916,GOZCEKPKECLKNO,,,,Vauquelinia,1023054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Vauquelinia'],['Unknown'],6,0,6.0 3775,2258,-1,,,,0.0,MS1_match,GOZCEKPKECLKNO-RKQHYHRCSA-N,"InChI=1S/C14H18O7/c1-7(16)8-2-4-9(5-3-8)20-14-13(19)12(18)11(17)10(6-15)21-14/h2-5,10-15,17-19H,6H2,1H3/t10-,11-,12+,13-,14-/m1/s1",CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C14H18O7,pos_1_1sodium,298.105252916,GOZCEKPKECLKNO,,,,Vauquelinia corymbosa,1085086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Vauquelinia'],['Vauquelinia corymbosa'],6,0,6.0 3776,2258,-1,,,,0.0,MS1_match,WTTHPSZUSQNYFG-UWVGGRQHSA-N,"InChI=1S/C14H18O7/c1-6-4-8(7(2)15)13(18)11(12(6)17)9(16)5-10(21-3)14(19)20/h4,9-10,16-18H,5H2,1-3H3,(H,19,20)/t9-,10-/m0/s1",CO[C@@H](C[C@H](O)c1c(O)c(C)cc(C(C)=O)c1O)C(=O)O,C14H18O7,pos_1_1sodium,298.105252916,WTTHPSZUSQNYFG,Polyketides,,,Sorbus globosa,3903414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus globosa'],6,0,6.0 3777,2254,165,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.21362422,ISDB,KTMZXANPFHMTFM-YHLNPCLLSA-N,"InChI=1S/C31H36O5/c1-21(2)8-6-9-22(3)10-7-18-31(4)19-17-25-27(36-31)20-28(35-5)29(30(25)34)26(33)16-13-23-11-14-24(32)15-12-23/h8,10-17,19-20,32,34H,6-7,9,18H2,1-5H3/b16-13+,22-10+",COc1cc2c(c(O)c1C(=O)/C=C/c1ccc(O)cc1)C=CC(C)(CC/C=C(\C)CCC=C(C)C)O2,C31H36O5,,488.2562742519999,KTMZXANPFHMTFM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Lanxangia tsao-ko,698763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Lanxangia'],['Lanxangia tsaoko'],4,3,6.354496896266937 3778,2254,165,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.21362422,ISDB,KTMZXANPFHMTFM-YHLNPCLLSA-N,"InChI=1S/C31H36O5/c1-21(2)8-6-9-22(3)10-7-18-31(4)19-17-25-27(36-31)20-28(35-5)29(30(25)34)26(33)16-13-23-11-14-24(32)15-12-23/h8,10-17,19-20,32,34H,6-7,9,18H2,1-5H3/b16-13+,22-10+",COc1cc2c(c(O)c1C(=O)/C=C/c1ccc(O)cc1)C=CC(C)(CC/C=C(\C)CCC=C(C)C)O2,C31H36O5,,488.2562742519999,KTMZXANPFHMTFM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Amomum tsao-ko,698763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Lanxangia'],['Lanxangia tsaoko'],4,3,6.354496896266937 3779,2253,-1,,,,0.0,MS1_match,PNEKVLUOGHZVKV-YRRKUQMFSA-N,"InChI=1S/C26H28O14/c1-9(28)22-19(33)21(35)26(39-22)40-24-18(32)16-13(30)6-11(29)7-14(16)37-23(24)10-2-4-12(5-3-10)36-25-20(34)17(31)15(8-27)38-25/h2-7,9,15,17,19-22,25-31,33-35H,8H2,1H3/t9-,15-,17-,19-,20+,21+,22-,25+,26-/m0/s1",C[C@H](O)[C@@H]1O[C@@H](Oc2c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1O,C26H28O14,pos_2_2sodium,564.147905576,PNEKVLUOGHZVKV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 3780,2252,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 3781,2252,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3782,2250,-1,,,,0.0,MS1_match,YHKOWVOYBLDKFJ-HINSNSBGSA-N,"InChI=1S/C15H22O4/c1-7-4-5-10(16)15(3)11(17)6-9-8(2)14(18)19-13(9)12(7)15/h4,8-13,16-17H,5-6H2,1-3H3/t8-,9+,10-,11-,12+,13-,15+/m1/s1",CC1=CC[C@@H](O)[C@@]2(C)[C@H](O)C[C@@H]3[C@@H](OC(=O)[C@@H]3C)[C@H]12,C15H22O4,pos_1_1proton1isopropanol,266.151809184,YHKOWVOYBLDKFJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Crataegus punctata,60977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus punctata'],7,0,7.0 3783,2250,-1,,,,0.0,MS1_match,YHKOWVOYBLDKFJ-HINSNSBGSA-N,"InChI=1S/C15H22O4/c1-7-4-5-10(16)15(3)11(17)6-9-8(2)14(18)19-13(9)12(7)15/h4,8-13,16-17H,5-6H2,1-3H3/t8-,9+,10-,11-,12+,13-,15+/m1/s1",CC1=CC[C@@H](O)[C@@]2(C)[C@H](O)C[C@@H]3[C@@H](OC(=O)[C@@H]3C)[C@H]12,C15H22O4,pos_1_1proton1isopropanol,266.151809184,YHKOWVOYBLDKFJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Crataegus flava,70190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus flava'],7,0,7.0 3784,2249,229,Fatty acids,Fatty Acids and Conjugates,Flavan-3-ols,0.0,MS1_match,XLYPVOJLUJUWKA-UHFFFAOYSA-N,"InChI=1S/C8H12O7/c1-14-5(9)3-8(13,7(11)12)4-6(10)15-2/h13H,3-4H2,1-2H3,(H,11,12)",COC(=O)CC(O)(CC(=O)OC)C(=O)O,C8H12O7,pos_1_1proton1ethylamine,220.058302724,XLYPVOJLUJUWKA,Fatty acids,Fatty Acids and Conjugates,,Prunus mume var. mume,704212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,2,9.0 3785,2245,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HLVPIMVSSMJFPS-VTEUUMMASA-N,"InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H30O9,pos_1_1proton1ammonium,426.1889825399999,HLVPIMVSSMJFPS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3786,2245,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HLVPIMVSSMJFPS-VTEUUMMASA-N,"InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H30O9,pos_1_1proton1ammonium,426.1889825399999,HLVPIMVSSMJFPS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3787,2245,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HLVPIMVSSMJFPS-VTEUUMMASA-N,"InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H30O9,pos_1_1proton1ammonium,426.1889825399999,HLVPIMVSSMJFPS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3788,2244,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 3789,2244,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 3790,2244,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 3791,2244,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3792,2244,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 3793,2244,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3794,2244,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 3795,2244,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 3796,2244,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 3797,2244,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 3798,2244,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,3,9.5 3799,2244,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 3800,2244,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_1_1proton,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 3801,2244,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3802,2244,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_1_1proton,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 3803,2244,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 3804,2243,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,pos_2MCH3CNNa,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 3805,2243,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,pos_2MCH3CNNa,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 3806,2235,-1,,,,0.9069368,ISDB,CUIJPIJRAYLBAL-NTKSAMNMSA-N,"InChI=1S/C22H20O13/c1-32-12-3-2-7(4-8(12)23)13-6-10(25)14-9(24)5-11(26)18(19(14)33-13)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-24,26-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c3o2)cc1O,C22H20O13,,492.0903907,CUIJPIJRAYLBAL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lavandula maroccana,142465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Lavanduleae'],['Lavandula'],['Lavandula maroccana'],4,0,7.627747297286987 3807,2235,-1,,,,0.9069368,ISDB,CUIJPIJRAYLBAL-NTKSAMNMSA-N,"InChI=1S/C22H20O13/c1-32-12-3-2-7(4-8(12)23)13-6-10(25)14-9(24)5-11(26)18(19(14)33-13)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-24,26-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c3o2)cc1O,C22H20O13,,492.0903907,CUIJPIJRAYLBAL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lavandula coronopifolia,5337979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Lavanduleae'],['Lavandula'],['Lavandula coronopifolia'],4,0,7.627747297286987 3808,2235,-1,,,,0.9069368,ISDB,CUIJPIJRAYLBAL-NTKSAMNMSA-N,"InChI=1S/C22H20O13/c1-32-12-3-2-7(4-8(12)23)13-6-10(25)14-9(24)5-11(26)18(19(14)33-13)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-24,26-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c3o2)cc1O,C22H20O13,,492.0903907,CUIJPIJRAYLBAL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lavandula pubescens,5800963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Lavanduleae'],['Lavandula'],['Lavandula pubescens'],4,0,7.627747297286987 3809,2235,-1,,,,0.9069368,ISDB,CUIJPIJRAYLBAL-NTKSAMNMSA-N,"InChI=1S/C22H20O13/c1-32-12-3-2-7(4-8(12)23)13-6-10(25)14-9(24)5-11(26)18(19(14)33-13)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-24,26-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c3o2)cc1O,C22H20O13,,492.0903907,CUIJPIJRAYLBAL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Malva sylvestris,121966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Malva'],['Malva sylvestris'],4,0,7.627747297286987 3810,2232,-1,,,,0.0,MS1_match,UCBKRGYKXGZHIN-MAYOFEEKSA-N,"InChI=1S/C22H26O8/c1-9-15(24)20-8-22(9)12(28-18(2,3)30-22)7-10(20)21-6-5-11(23)19(4,17(27)29-21)14(21)13(20)16(25)26/h5-6,10-15,23-24H,1,7-8H2,2-4H3,(H,25,26)/t10-,11+,12+,13-,14-,15-,19-,20-,21-,22+/m1/s1",C=C1[C@@H](O)[C@]23C[C@]14OC(C)(C)O[C@H]4C[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C22H26O8,pos_1_1sodium,418.162767792,UCBKRGYKXGZHIN,Terpenoids,Diterpenoids,Gibberellins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3811,2232,-1,,,,0.0,MS1_match,UCBKRGYKXGZHIN-MAYOFEEKSA-N,"InChI=1S/C22H26O8/c1-9-15(24)20-8-22(9)12(28-18(2,3)30-22)7-10(20)21-6-5-11(23)19(4,17(27)29-21)14(21)13(20)16(25)26/h5-6,10-15,23-24H,1,7-8H2,2-4H3,(H,25,26)/t10-,11+,12+,13-,14-,15-,19-,20-,21-,22+/m1/s1",C=C1[C@@H](O)[C@]23C[C@]14OC(C)(C)O[C@H]4C[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C22H26O8,pos_1_1sodium,418.162767792,UCBKRGYKXGZHIN,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3812,2230,88,Polyketides,Meroterpenoids,Naphthalenes and derivatives,0.49632955,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,3,7.485318183898926 3813,2229,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,KZMACGJDUUWFCH-UHFFFAOYSA-O,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(OC)c1O,C17H15O7+,pos_1_1sodium1acetonitrile,331.08122924008995,KZMACGJDUUWFCH,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,2,9.0 3814,2228,-1,,,,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1potassium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3815,2228,-1,,,,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1potassium,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3816,2228,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1potassium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 3817,2228,-1,,,,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1potassium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3818,2228,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1potassium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 3819,2227,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_2MH,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 3820,2227,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_2MH,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3821,2227,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_2MH,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 3822,2227,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_2MH,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 3823,2226,-1,,,,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_2MH,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3824,2226,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_2MH,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3825,2226,-1,,,,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_2MH,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3826,2225,157,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,LTZJUQWTMQRZCQ-YDOZGBBKSA-N,"InChI=1S/C22H38O12/c1-11(6-7-31-21-19(29)17(27)15(25)13(8-23)33-21)4-3-5-12(2)10-32-22-20(30)18(28)16(26)14(9-24)34-22/h5-6,13-30H,3-4,7-10H2,1-2H3/b11-6+,12-5+/t13-,14-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1",C/C(=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC/C=C(\C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H38O12,pos_1_1potassium,494.236326656,LTZJUQWTMQRZCQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,3,7.5 3827,2224,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,KZMACGJDUUWFCH-UHFFFAOYSA-O,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(OC)c1O,C17H15O7+,pos_1_1sodium1acetonitrile,331.08122924008995,KZMACGJDUUWFCH,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,2,9.0 3828,2223,-1,,,,0.9393519,ISDB,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,11.757407665252686 3829,2223,-1,,,,0.9393519,ISDB,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,11.757407665252686 3830,2222,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,HRUPKKAITRRGMV-GLEFEWGCSA-N,"InChI=1S/C21H16O13/c1-5(22)31-10-4-30-21(16(27)14(10)25)32-9-3-7-12-11-6(19(28)34-18(12)15(9)26)2-8(23)13(24)17(11)33-20(7)29/h2-3,10,14,16,21,23-27H,4H2,1H3/t10-,14-,16+,21-/m0/s1",CC(=O)O[C@H]1CO[C@@H](Oc2cc3c(=O)oc4c(O)c(O)cc5c(=O)oc(c2O)c3c45)[C@H](O)[C@H]1O,C21H16O13,pos_1_1proton,476.059090572,HRUPKKAITRRGMV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus idaeus,156929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus idaeus'],6,3,7.5 3831,2221,-1,,,,0.0,MS1_match,CJBIGGJNXVLZLI-UHFFFAOYSA-N,"InChI=1S/C20H18O11/c21-6-13(26)17(28)14(27)7-30-20-18(29)16-12(25)4-9(22)5-15(16)31-19(20)8-1-2-10(23)11(24)3-8/h1-6,13-14,17,22-28H,7H2",O=CC(O)C(O)C(O)COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O,C20H18O11,pos_1_1proton,434.084911396,CJBIGGJNXVLZLI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3832,2221,-1,,,,0.0,MS1_match,PZZRDJXEMZMZFD-IEGSVRCHSA-N,"InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.0849113959998,PZZRDJXEMZMZFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3833,2221,-1,,,,0.0,MS1_match,BDCDNTVZSILEOY-UXYNSRGZSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.0849113959998,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3834,2221,-1,,,,0.0,MS1_match,PZZRDJXEMZMZFD-IEGSVRCHSA-N,"InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.0849113959998,PZZRDJXEMZMZFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3835,2221,-1,,,,0.0,MS1_match,PZZRDJXEMZMZFD-IEGSVRCHSA-N,"InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.0849113959998,PZZRDJXEMZMZFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3836,2221,-1,,,,0.0,MS1_match,BDCDNTVZSILEOY-UXYNSRGZSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.0849113959998,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3837,2218,-1,,,,0.0,MS1_match,ZTHSABILDCCHJR-XLKGFZLASA-N,"InChI=1S/C18H24O8/c1-9(2)3-4-10-7-11(17(23)24)5-6-12(10)25-18-16(22)15(21)14(20)13(8-19)26-18/h3,5-7,13-16,18-22H,4,8H2,1-2H3,(H,23,24)/t13-,14-,15+,16-,18-/m1/s1",CC(C)=CCc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H24O8,pos_1_1sodium,368.147117728,ZTHSABILDCCHJR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 3838,2218,-1,,,,0.0,MS1_match,ZTHSABILDCCHJR-XLKGFZLASA-N,"InChI=1S/C18H24O8/c1-9(2)3-4-10-7-11(17(23)24)5-6-12(10)25-18-16(22)15(21)14(20)13(8-19)26-18/h3,5-7,13-16,18-22H,4,8H2,1-2H3,(H,23,24)/t13-,14-,15+,16-,18-/m1/s1",CC(C)=CCc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H24O8,pos_1_1sodium,368.147117728,ZTHSABILDCCHJR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3839,2218,-1,,,,0.0,MS1_match,ZTHSABILDCCHJR-XLKGFZLASA-N,"InChI=1S/C18H24O8/c1-9(2)3-4-10-7-11(17(23)24)5-6-12(10)25-18-16(22)15(21)14(20)13(8-19)26-18/h3,5-7,13-16,18-22H,4,8H2,1-2H3,(H,23,24)/t13-,14-,15+,16-,18-/m1/s1",CC(C)=CCc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H24O8,pos_1_1sodium,368.147117728,ZTHSABILDCCHJR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3840,2218,-1,,,,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_2_2proton2acetonitrile,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 3841,2218,-1,,,,0.0,MS1_match,IIRLJBYCOBQSFR-OPKVVABASA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)11-8-20-6-9-21(37)10-7-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_2_2proton2acetonitrile,698.205814376,IIRLJBYCOBQSFR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 3842,2218,-1,,,,0.0,MS1_match,XEULPBRTZLSETH-OZNBHJLGSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)27(44-18(4)35)28(45-19(5)36)30(46-22)49-31(14-43-17(3)34)29(26(40)23(48-31)13-42-16(2)33)47-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_2_2proton2acetonitrile,698.205814376,XEULPBRTZLSETH,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 3843,2218,-1,,,,0.0,MS1_match,YTERZBXYMRSCJV-WWXINNHQSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)10-9-20-7-6-8-21(37)11-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b10-9-/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C31H38O18,pos_2_2proton2acetonitrile,698.205814376,YTERZBXYMRSCJV,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 3844,2217,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,NVTNXPADRDASMP-PEXIWSMMSA-N,"InChI=1S/C17H30O10/c1-2-3-4-5-6-24-17-15(23)13(21)12(20)10(27-17)8-26-16-14(22)11(19)9(18)7-25-16/h3-4,9-23H,2,5-8H2,1H3/b4-3-/t9-,10-,11+,12-,13+,14-,15-,16+,17-/m1/s1",CC/C=C\CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C17H30O10,pos_1_1proton1acetonitrile,394.18389716,NVTNXPADRDASMP,,,,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 3845,2216,-1,,,,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_2MNa,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3846,2212,-1,,,,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1ammonium,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 3847,2212,-1,,,,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1ammonium,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus foliolatus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 3848,2212,-1,,,,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1ammonium,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3849,2212,-1,,,,0.0,MS1_match,JAFZKPLEKRHFFD-UHFFFAOYSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3",C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CCC(C)=CCOC1OC(CO)C(O)C(O)C1O,C26H44O8,pos_1_1proton1ammonium,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii,922368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3850,2212,-1,,,,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1ammonium,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 3851,2212,-1,,,,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1ammonium,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus foliolatus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 3852,2212,-1,,,,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1ammonium,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3853,2212,-1,,,,0.0,MS1_match,CWDBCXIAEGDANA-UHFFFAOYSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3",C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CCC(C)=CCO,C26H44O8,pos_1_1proton1ammonium,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii,922368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3854,2212,-1,,,,0.0,MS1_match,KCTSUIMXVGYXPH-GPANMQAPSA-N,"InChI=1S/C26H44O8/c1-23(2)16-6-9-25-10-14(4-5-17(25)24(16,3)8-7-18(23)28)26(32,12-25)13-33-22-21(31)20(30)19(29)15(11-27)34-22/h14-22,27-32H,4-13H2,1-3H3/t14-,15-,16-,17+,18+,19-,20+,21-,22-,24-,25+,26+/m1/s1",CC1(C)[C@H]2CC[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CC[C@@H]1O)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C4,C26H44O8,pos_1_1proton1ammonium,484.303618368,KCTSUIMXVGYXPH,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 3855,2212,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_2MFe,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 3856,2212,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_2MFe,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 3857,2212,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_2MFe,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 3858,2212,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_2MFe,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 3859,2212,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_2MFe,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 3860,2212,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_2MFe,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 3861,2211,373,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,AUPMFUOQLMOLGB-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h17-18,20-23,28H,2-16,19,24H2,1H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H44O3,pos_1_1proton1ethylamine,416.329045268,AUPMFUOQLMOLGB,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 3862,2211,373,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,AUPMFUOQLMOLGB-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h17-18,20-23,28H,2-16,19,24H2,1H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H44O3,pos_1_1proton1ethylamine,416.329045268,AUPMFUOQLMOLGB,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 3863,2209,416,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_2MHNH3,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 3864,2209,416,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_2MHNH3,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 3865,2206,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3866,2206,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3867,2206,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3868,2201,-1,,,,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_2MNa,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3869,2201,-1,,,,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_2MNa,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3870,2201,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_2MNa,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 3871,2201,-1,,,,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_2MNa,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3872,2201,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_2MNa,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 3873,2200,-1,,,,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_2MNa,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3874,2200,-1,,,,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_2MNa,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3875,2200,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_2MNa,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 3876,2200,-1,,,,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_2MNa,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3877,2200,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_2MNa,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 3878,2199,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-UHFFFAOYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)",O=C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O,C21H18O12,pos_1_1sodium,462.079826016,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 3879,2199,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-UHFFFAOYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)",O=C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O,C21H18O12,pos_1_1sodium,462.079826016,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 3880,2198,-1,,,,0.0,MS1_match,KSNLTHGWURXRJK-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-10(18)8(3)4-11(9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C(C)C)cc1O,C16H24O7,pos_1_1proton1ammonium,328.152203108,KSNLTHGWURXRJK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 3881,2198,-1,,,,0.0,MS1_match,KSNLTHGWURXRJK-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-10(18)8(3)4-11(9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C(C)C)cc1O,C16H24O7,pos_1_1proton1ammonium,328.152203108,KSNLTHGWURXRJK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 3882,2198,-1,,,,0.0,MS1_match,XFPSRAYOBUHKRV-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O7,pos_1_1proton1ammonium,328.152203108,XFPSRAYOBUHKRV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 3883,2198,-1,,,,0.0,MS1_match,XFPSRAYOBUHKRV-IBEHDNSVSA-N,"InChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1",Cc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O7,pos_1_1proton1ammonium,328.152203108,XFPSRAYOBUHKRV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 3884,2194,594,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.22076096,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Magallana gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,3.3830438256263733 3885,2194,594,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.22076096,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Crassostrea gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,3.3830438256263733 3886,2194,594,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.22076096,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula japonica,920654.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula japonica'],1,3,3.3830438256263733 3887,2194,594,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.22076096,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula sandai,920655.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula sandai'],1,3,3.3830438256263733 3888,2193,75,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,3,7.5 3889,2193,75,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,3,7.5 3890,2193,75,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,3,7.5 3891,2193,75,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 3892,2193,75,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 3893,2190,355,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.389722,ISDB,PMDCKDXMRHEFLJ-YJRNTSOCSA-N,"InChI=1S/C27H44O8/c1-7-9-10-11-12-13-14-15-23(28)35-24-21(33-25(29)18(3)4)16-20(27(31)32-6)17-22(24)34-26(30)19(5)8-2/h17-19,21-22,24H,7-16H2,1-6H3/t19-,21-,22-,24+/m1/s1",CCCCCCCCCC(=O)O[C@@H]1[C@H](OC(=O)[C@H](C)CC)C=C(C(=O)OC)C[C@H]1OC(=O)C(C)C,C27H44O8,,496.303618368,PMDCKDXMRHEFLJ,Terpenoids,,,Senecio lividus,962482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio lividus'],4,0,5.558887958526611 3894,2188,101,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7863845,ISDB,FOENAQXATBLGSL-LVNOGPFZSA-N,"InChI=1S/C25H26O15/c26-7-25(35)8-37-24(22(25)34)40-21-17(32)14(31)6-36-23(21)39-20-18(33)16-13(30)4-10(27)5-15(16)38-19(20)9-1-2-11(28)12(29)3-9/h1-5,14,17,21-24,26-32,34-35H,6-8H2/t14-,17-,21+,22-,23-,24-,25+/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C25H26O15,,566.127170132,FOENAQXATBLGSL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Securidaca diversifolia,414987.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Polygalaceae'],['Unknown'],['Securidaca'],['Securidaca diversifolia'],4,3,8.645538091659546 3895,2188,101,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7863845,ISDB,FOENAQXATBLGSL-LVNOGPFZSA-N,"InChI=1S/C25H26O15/c26-7-25(35)8-37-24(22(25)34)40-21-17(32)14(31)6-36-23(21)39-20-18(33)16-13(30)4-10(27)5-15(16)38-19(20)9-1-2-11(28)12(29)3-9/h1-5,14,17,21-24,26-32,34-35H,6-8H2/t14-,17-,21+,22-,23-,24-,25+/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C25H26O15,,566.127170132,FOENAQXATBLGSL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Neolitsea konishii,5699237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea konishii'],4,3,8.645538091659546 3896,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SMFKCIHIAHWGGL-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)C1,C17H20O9,pos_1_1sodium,368.11073221999993,SMFKCIHIAHWGGL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3897,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 3898,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3899,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 3900,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3901,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 3902,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3903,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 3904,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3905,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3906,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 3907,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 3908,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 3909,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3910,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3911,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 3912,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 3913,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3914,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 3915,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 3916,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 3917,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SMFKCIHIAHWGGL-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)C1,C17H20O9,pos_1_1sodium,368.11073221999993,SMFKCIHIAHWGGL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3918,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 3919,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1sodium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3920,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3921,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3922,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1sodium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 3923,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1sodium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3924,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1sodium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 3925,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 3926,2186,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 3927,2183,-1,,,,0.0,MS1_match,SHZMGEYUEFSGCM-DNRYLMBSSA-N,"InChI=1S/C15H20O8/c1-6-4-8(17)7-2-3-21-14(10(6)7)23-15-13(20)12(19)11(18)9(5-16)22-15/h2-4,7,9-16,18-20H,5H2,1H3/t7-,9+,10+,11+,12-,13+,14-,15-/m0/s1",CC1=CC(=O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H20O8,pos_1_1sodium,328.1158176,SHZMGEYUEFSGCM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 3928,2182,-1,,,,0.0,MS1_match,LGQLHZODXDTPIE-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(32)39-12-21-24(40-15(2)33)25(41-16(3)34)26(42-17(4)35)28(43-21)46-29(13-31)27(23(38)20(11-30)45-29)44-22(37)10-7-18-5-8-19(36)9-6-18/h5-10,20-21,23-28,30-31,36,38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1acetonitrile,656.195249692,LGQLHZODXDTPIE,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 3929,2182,-1,,,,0.0,MS1_match,VQQQOHZYZBIHTQ-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-23(37)25(41-16(3)33)26(42-17(4)34)28(43-21)46-29(13-40-15(2)32)27(24(38)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C29H36O17,pos_1_1proton1acetonitrile,656.195249692,VQQQOHZYZBIHTQ,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 3930,2182,-1,,,,0.0,MS1_match,UULRBMDSYFJFGT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1acetonitrile,656.195249692,UULRBMDSYFJFGT,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 3931,2179,-1,,,,0.77257776,ISDB,UOLUQSRSSLEMQA-POFXHGHASA-N,"InChI=1S/C22H36O3/c1-4-24-18-19(2)9-5-10-22(14-25-18)16(19)8-11-21-12-15(6-7-17(21)22)20(3,23)13-21/h15-18,23H,4-14H2,1-3H3/t15-,16-,17-,18+,19-,20-,21+,22+/m1/s1",CCO[C@H]1OC[C@@]23CCC[C@]1(C)[C@H]2CC[C@@]12C[C@@H](CC[C@H]13)[C@](C)(O)C2,C22H36O3,,348.266445012,UOLUQSRSSLEMQA,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],4,0,7.090311050415039 3932,2177,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 3933,2177,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 3934,2175,-1,,,,0.0,MS1_match,SXYZSPUAXKAFMK-KVBUJQIHSA-N,"InChI=1S/C22H38O13/c1-10(6-7-32-21-18(29)16(27)14(25)12(8-23)33-21)4-3-5-11(2)20(31)35-22-19(30)17(28)15(26)13(9-24)34-22/h5,10,12-19,21-30H,3-4,6-9H2,1-2H3/b11-5+/t10-,12-,13-,14-,15-,16+,17+,18-,19-,21-,22+/m1/s1",C/C(=C\CC[C@@H](C)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H38O13,pos_1_1potassium,510.231241276,SXYZSPUAXKAFMK,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 3935,2174,-1,,,,0.57278115,ISDB,QCKPTUKEPYOSGF-XOSATUSRSA-N,"InChI=1S/C32H38O21/c33-6-16-19(40)22(43)24(45)31(49-16)51-27-14(39)8-47-30(25(27)46)53-29-23(44)20(41)17(7-34)50-32(29)52-28-21(42)18-13(38)4-10(35)5-15(18)48-26(28)9-1-2-11(36)12(37)3-9/h1-5,14,16-17,19-20,22-25,27,29-41,43-46H,6-8H2/t14-,16-,17-,19-,20-,22+,23+,24-,25-,27+,29-,30+,31+,32+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C32H38O21,,758.190558236,QCKPTUKEPYOSGF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aesculus hippocastanum,404238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Hippocastaneae'],['Aesculus'],['Aesculus hippocastanum'],4,0,6.291124582290649 3936,2172,74,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_1_1proton1dmso,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 3937,2172,74,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_1_1proton1dmso,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 3938,2171,-1,,,,0.0,MS1_match,SHZGCJCMOBCMKK-HGVZOGFYSA-N,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1",C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O,C6H12O5,pos_2MK,164.068473484,SHZGCJCMOBCMKK,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3939,2170,-1,,,,0.0,MS1_match,GEEFIZNKWFRPBI-KIRITSJKSA-N,"InChI=1S/C15H20O7/c1-8(6-10(17)18)4-5-15(21)13(2)7-9(16)11(19)14(15,3)12(20)22-13/h4-6,9,11,16,19,21H,7H2,1-3H3,(H,17,18)/b5-4+,8-6-/t9-,11+,13+,14+,15-/m0/s1",CC(=C/C(=O)O)/C=C/[C@]1(O)[C@@]2(C)C[C@H](O)[C@@H](O)[C@]1(C)C(=O)O2,C15H20O7,pos_1_1proton1ethylamine,312.12090298,GEEFIZNKWFRPBI,Terpenoids,Sesquiterpenoids,Cyclofarnesane sesquiterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3940,2169,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3941,2169,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 3942,2169,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 3943,2169,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 3944,2169,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 3945,2167,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 3946,2167,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 3947,2166,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 3948,2166,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 3949,2166,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 3950,2166,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 3951,2165,245,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.42199773,ISDB,,,,,,,SIYNRPHDAIDUJN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6879909038543701 3952,2164,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,RAXXBLUAHMNNDW-MHKXYFPYSA-N,"InChI=1S/C19H22O5/c1-9-7-18-8-10(9)11(20)6-12(18)19-5-3-4-17(2,16(23)24-19)14(19)13(18)15(21)22/h3,5,10-14,20H,1,4,6-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MMg,330.146723804,RAXXBLUAHMNNDW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3953,2164,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MMg,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 3954,2164,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MMg,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus mandshurica,692781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mandshurica'],8,3,9.5 3955,2164,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MMg,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus sibirica,296729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus sibirica'],8,3,9.5 3956,2164,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MMg,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3957,2164,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MMg,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 3958,2164,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MMg,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 3959,2164,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,UXLXLQYIDWLPKX-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,6,11-13,23H,1,4-5,7-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12C=CCC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MMg,330.146723804,UXLXLQYIDWLPKX,Terpenoids,Diterpenoids,Gibberellins,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 3960,2164,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,UXLXLQYIDWLPKX-VCBPHAENSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,6,11-13,23H,1,4-5,7-9H2,2H3,(H,20,21)/t11-,12-,13-,16+,17-,18+,19+/m1/s1",C=C1C[C@@]23C[C@@]1(O)CC[C@H]2[C@]12C=CC[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MMg,330.146723804,UXLXLQYIDWLPKX,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3961,2164,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MMg,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3962,2164,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MMg,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3963,2164,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MMg,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3964,2164,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MMg,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus mandshurica,692781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mandshurica'],8,3,9.5 3965,2164,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MMg,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 3966,2164,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MMg,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus sibirica,296729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus sibirica'],8,3,9.5 3967,2161,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-UHFFFAOYSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)",O=C(O)C1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H18O13,pos_1_1sodium,478.0747406359999,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 3968,2161,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-UHFFFAOYSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)",O=C(O)C1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H18O13,pos_1_1sodium,478.0747406359999,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 3969,2161,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-UHFFFAOYSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)",O=C(O)C1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H18O13,pos_1_1sodium,478.0747406359999,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 3970,2159,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,KZMACGJDUUWFCH-UHFFFAOYSA-O,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(OC)c1O,C17H15O7+,pos_1_1sodium1acetonitrile,331.08122924008995,KZMACGJDUUWFCH,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,2,9.0 3971,2158,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,LFKQVVDFNHDYNK-FOXCETOMSA-N,"InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H26O11,pos_1_1proton1acetonitrile,478.1475116519999,LFKQVVDFNHDYNK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 3972,2158,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,LFKQVVDFNHDYNK-FOXCETOMSA-N,"InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H26O11,pos_1_1proton1acetonitrile,478.1475116519999,LFKQVVDFNHDYNK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 3973,2158,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,LFKQVVDFNHDYNK-FOXCETOMSA-N,"InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H26O11,pos_1_1proton1acetonitrile,478.1475116519999,LFKQVVDFNHDYNK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 3974,2158,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,LFKQVVDFNHDYNK-FOXCETOMSA-N,"InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H26O11,pos_1_1proton1acetonitrile,478.1475116519999,LFKQVVDFNHDYNK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 3975,2157,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.3320668,ISDB,POIARNZEYGURDG-UHFFFAOYSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3",CC=CC(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,10.828267216682434 3976,2155,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,LSHVYAFMTMFKBA-TZIWHRDSSA-N,"InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O10,pos_1_1proton1isopropanol,442.0899967759999,LSHVYAFMTMFKBA,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,10.0 3977,2153,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,VZFVTZAODLQTMX-STMWSHLUSA-N,"InChI=1S/C24H28O11/c1-32-18-11-13(3-6-16(18)26)4-7-20(28)34-12-19-21(29)22(30)23(31)24(35-19)33-9-8-14-2-5-15(25)17(27)10-14/h2-7,10-11,19,21-27,29-31H,8-9,12H2,1H3/b7-4+/t19-,21-,22+,23-,24-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C24H28O11,pos_1_1proton1acetonitrile,492.163161716,VZFVTZAODLQTMX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 3978,2153,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,GNSSUYVJEKYTCX-PYICDSEISA-N,"InChI=1S/C24H24O11/c25-15-6-1-13(2-7-15)4-10-20(29)35-24-23(32)22(31)21(30)18(34-24)12-33-19(28)9-5-14-3-8-16(26)17(27)11-14/h1-11,18,21-27,30-32H,12H2/b9-5+,10-4+/t18-,21-,22+,23-,24+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C24H24O11,pos_1_1proton1ethylamine,488.131861588,GNSSUYVJEKYTCX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 3979,2152,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3980,2152,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 3981,2152,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 3982,2152,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 3983,2152,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 3984,2152,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 3985,2152,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 3986,2152,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus ulmifolia,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,3,9.5 3987,2152,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus triloba,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,3,9.5 3988,2152,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],8,3,9.5 3989,2150,-1,,,,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1proton1ethylamine,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3990,2150,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ethylamine,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 3991,2150,-1,,,,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton1ethylamine,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3992,2150,-1,,,,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton1ethylamine,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 3993,2150,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ethylamine,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 3994,2148,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,VVZGWJFMILUWOO-HFVZKWEFSA-N,"InChI=1S/C17H20O10/c1-23-9-5-8-7(3-4-11(19)25-8)15(24-2)16(9)27-17-14(22)13(21)12(20)10(6-18)26-17/h3-5,10,12-14,17-18,20-22H,6H2,1-2H3/t10-,12-,13+,14-,17+/m1/s1",COc1cc2oc(=O)ccc2c(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H20O10,pos_1_1proton1ethylamine,384.1056468399999,VVZGWJFMILUWOO,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,8.5 3995,2146,-1,,,,0.6089483,ISDB,NIABBGMPPWXWOJ-UHFFFAOYSA-N,"InChI=1S/C26H28O16/c27-6-13-16(32)18(34)20(36)26(40-13)41-23-17(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-22(14)24(21(23)37)42-25-19(35)15(31)11(30)7-38-25/h1-5,11,13,15-16,18-20,25-28,30-37H,6-7H2",O=c1cc(-c2ccc(O)cc2)oc2c(OC3OCC(O)C(O)C3O)c(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c12,C26H28O16,,596.1377348159998,NIABBGMPPWXWOJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,10.435793161392212 3996,2144,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,NRHWROIRYIUENC-OYYNGEPBSA-N,"InChI=1S/C19H26O4/c1-11(2)8-18(22)23-17-7-6-14-9-16(21)15(13(4)20)10-19(14,5)12(17)3/h9-12,17H,6-8H2,1-5H3/t12-,17-,19+/m0/s1",CC(=O)C1=C[C@@]2(C)C(=CC1=O)CC[C@H](OC(=O)CC(C)C)[C@@H]2C,C19H26O4,pos_2MFe,318.183109312,NRHWROIRYIUENC,Terpenoids,Sesquiterpenoids,Noreremophilane sesquiterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 3997,2143,355,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1sodium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,3,7.5 3998,2143,355,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1sodium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,3,7.5 3999,2141,-1,,,,0.0,MS1_match,SRPHMISUTWFFKJ-QJNWWGCFSA-N,"InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H44O7,pos_1_1proton1ethylamine,516.3087037479999,SRPHMISUTWFFKJ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Physocarpus opulifolius,769165.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Neillieae'],['Physocarpus'],['Physocarpus opulifolius'],6,0,6.0 4000,2141,-1,,,,0.0,MS1_match,SRPHMISUTWFFKJ-UYOOCETRSA-N,"InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18-,19-,20+,23+,27+,28-,29+,30-/m1/s1",CC(C)(O)/C=C/C(=O)[C@@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H44O7,pos_1_1proton1ethylamine,516.308703748,SRPHMISUTWFFKJ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Purshia tridentata,156916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia tridentata'],6,0,6.0 4001,2141,-1,,,,0.0,MS1_match,SRPHMISUTWFFKJ-QJNWWGCFSA-N,"InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H44O7,pos_1_1proton1ethylamine,516.3087037479999,SRPHMISUTWFFKJ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Physocarpus opulifolius,769165.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Neillieae'],['Physocarpus'],['Physocarpus opulifolius'],6,0,6.0 4002,2141,-1,,,,0.0,MS1_match,SRPHMISUTWFFKJ-UYOOCETRSA-N,"InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18-,19-,20+,23+,27+,28-,29+,30-/m1/s1",CC(C)(O)/C=C/C(=O)[C@@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H44O7,pos_1_1proton1ethylamine,516.308703748,SRPHMISUTWFFKJ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Purshia tridentata,156916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia tridentata'],6,0,6.0 4003,2141,-1,,,,0.0,MS1_match,ALPSEMFPAVSKJO-WCGKEEAASA-N,"InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17,19-20,23-24,32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,24+,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H44O7,pos_1_1proton1ethylamine,516.3087037479999,ALPSEMFPAVSKJO,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Physocarpus opulifolius,769165.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Neillieae'],['Physocarpus'],['Physocarpus opulifolius'],6,0,6.0 4004,2141,-1,,,,0.0,MS1_match,ALPSEMFPAVSKJO-WCGKEEAASA-N,"InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17,19-20,23-24,32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,24+,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H44O7,pos_1_1proton1ethylamine,516.3087037479999,ALPSEMFPAVSKJO,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Physocarpus opulifolius,769165.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Neillieae'],['Physocarpus'],['Physocarpus opulifolius'],6,0,6.0 4005,2141,-1,,,,0.0,MS1_match,VVBWBGOEAVGFTN-LPQIEKFGSA-N,"InChI=1S/C30H48O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,17-20,23-24,31-32,35-37H,10-15H2,1-8H3/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1",CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H48O7,pos_1_1proton1acetonitrile,520.3400038759999,VVBWBGOEAVGFTN,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Physocarpus capitatus,840670.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Neillieae'],['Physocarpus'],['Physocarpus capitatus'],6,0,6.0 4006,2141,-1,,,,0.0,MS1_match,VVBWBGOEAVGFTN-LPQIEKFGSA-N,"InChI=1S/C30H48O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,17-20,23-24,31-32,35-37H,10-15H2,1-8H3/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1",CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H48O7,pos_1_1proton1acetonitrile,520.3400038759999,VVBWBGOEAVGFTN,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 4007,2141,-1,,,,0.0,MS1_match,VVBWBGOEAVGFTN-LPQIEKFGSA-N,"InChI=1S/C30H48O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,17-20,23-24,31-32,35-37H,10-15H2,1-8H3/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1",CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H48O7,pos_1_1proton1acetonitrile,520.3400038759999,VVBWBGOEAVGFTN,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 4008,2141,-1,,,,0.0,MS1_match,VVBWBGOEAVGFTN-LPQIEKFGSA-N,"InChI=1S/C30H48O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,17-20,23-24,31-32,35-37H,10-15H2,1-8H3/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1",CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H48O7,pos_1_1proton1acetonitrile,520.3400038759999,VVBWBGOEAVGFTN,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Physocarpus capitatus,840670.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Neillieae'],['Physocarpus'],['Physocarpus capitatus'],6,0,6.0 4009,2141,-1,,,,0.0,MS1_match,VVBWBGOEAVGFTN-LPQIEKFGSA-N,"InChI=1S/C30H48O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,17-20,23-24,31-32,35-37H,10-15H2,1-8H3/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1",CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H48O7,pos_1_1proton1acetonitrile,520.3400038759999,VVBWBGOEAVGFTN,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 4010,2141,-1,,,,0.0,MS1_match,VVBWBGOEAVGFTN-LPQIEKFGSA-N,"InChI=1S/C30H48O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,17-20,23-24,31-32,35-37H,10-15H2,1-8H3/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1",CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H48O7,pos_1_1proton1acetonitrile,520.3400038759999,VVBWBGOEAVGFTN,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 4011,2141,-1,,,,0.0,MS1_match,RIFJXBJHRYLRKR-YTOUHQNPSA-N,"InChI=1S/C30H48O7/c1-17-8-11-29(24(35)36)13-12-26(3)18(22(29)28(17,5)37)6-7-20-25(2)14-19(33)23(34)30(15-31,16-32)21(25)9-10-27(20,26)4/h6,17,19-23,31-34,37H,7-16H2,1-5H3,(H,35,36)/t17-,19-,20-,21-,22-,23+,25-,26-,27-,28-,29+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O7,pos_1_1proton1acetonitrile,520.3400038759999,RIFJXBJHRYLRKR,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus acuminatus,3905563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus acuminatus'],6,0,6.0 4012,2141,-1,,,,0.0,MS1_match,RIFJXBJHRYLRKR-YTOUHQNPSA-N,"InChI=1S/C30H48O7/c1-17-8-11-29(24(35)36)13-12-26(3)18(22(29)28(17,5)37)6-7-20-25(2)14-19(33)23(34)30(15-31,16-32)21(25)9-10-27(20,26)4/h6,17,19-23,31-34,37H,7-16H2,1-5H3,(H,35,36)/t17-,19-,20-,21-,22-,23+,25-,26-,27-,28-,29+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O7,pos_1_1proton1acetonitrile,520.3400038759999,RIFJXBJHRYLRKR,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus acuminatus,3905563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus acuminatus'],6,0,6.0 4013,2139,451,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XZRJEYQBLXDNNU-BFFMHGNPSA-N,"InChI=1S/C19H34O9/c1-10(27-16-15(24)14(23)13(22)12(9-20)28-16)5-6-19(26)17(2,3)7-11(21)8-18(19,4)25/h5-6,10-16,20-26H,7-9H2,1-4H3/b6-5+/t10-,11+,12+,13+,14-,15+,16+,18-,19-/m0/s1",C[C@@H](/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O9,pos_1_1proton1acetonitrile,406.220282668,XZRJEYQBLXDNNU,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 4014,2138,245,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.25165194,ISDB,DQBYZULBDHLLAH-TXIYWMGPSA-N,"InChI=1S/C24H40O6/c1-16(11-13-25)10-12-23(3)18(15-30-22(29)9-8-21(27)28)19(26)14-24(4)17(2)6-5-7-20(23)24/h6,16,18-20,25-26H,5,7-15H2,1-4H3,(H,27,28)/t16-,18+,19-,20+,23-,24-/m0/s1",CC1=CCC[C@@H]2[C@@](C)(CC[C@H](C)CCO)[C@H](COC(=O)CCC(=O)O)[C@@H](O)C[C@@]12C,C24H40O6,,424.282489,DQBYZULBDHLLAH,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis pteronioides,3898913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis pteronioides'],4,3,6.5066077709198 4015,2137,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,2,7.0 4016,2137,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,2,7.0 4017,2136,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.20952655,ISDB,FSDWJRVXGNHQPQ-KKELIOHKSA-N,"InChI=1S/C28H51NO9/c1-4-6-8-9-10-11-16-21(31)23(32)27(36)29-20(15-12-14-19(3)13-7-5-2)18-37-28-26(35)25(34)24(33)22(17-30)38-28/h11,13,16,20-26,28,30-35H,4-10,12,14-15,17-18H2,1-3H3,(H,29,36)/b16-11+,19-13+/t20-,21?,22-,23?,24-,25+,26-,28-/m1/s1",CCC/C=C(\C)CCC[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)C(O)/C=C/CCCCCC,C28H51NO9,,545.356382212,FSDWJRVXGNHQPQ,,,,Penicillium,199764.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Unknown'],1,0,1.8381062150001526 4018,2135,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 4019,2135,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1proton,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 4020,2135,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 4021,2135,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-ZFDPGQBLSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15-,17-,18+,20-,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4022,2135,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 4023,2135,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZEJXENDZTYVXDP-CSJHBIPPSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.1584702600001,ZEJXENDZTYVXDP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 4024,2135,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZEJXENDZTYVXDP-CSJHBIPPSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.1584702600001,ZEJXENDZTYVXDP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 4025,2135,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SOVOSNMYOLGARG-QETNVOEASA-N,"InChI=1S/C27H30O15/c1-9-17(30)20(33)23(36)26(39-9)38-8-15-18(31)21(34)24(37)27(42-15)40-12-6-13(29)16-14(7-12)41-25(22(35)19(16)32)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-21,23-24,26-31,33-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,SOVOSNMYOLGARG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 4026,2135,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AZFYHRHUTXBGJS-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12,C16H12O7,pos_1_1proton,316.058302724,AZFYHRHUTXBGJS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 4027,2135,617,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 4028,2127,208,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.22930503,ISDB,XOFDOXJFXCEFDE-CYBMUJFWSA-N,"InChI=1S/C13H18/c1-10-6-7-11-12(2,3)8-5-9-13(10,11)4/h5-7,9H,8H2,1-4H3/t13-/m1/s1",CC1=CC=C2C(C)(C)CC=C[C@]12C,C13H18,,174.140850576,XOFDOXJFXCEFDE,Terpenoids,Monoterpenoids,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,1,8.417220115661621 4029,2126,-1,,,,0.0,MS1_match,MOEVEIGHSLNJAI-RRXMTBKISA-N,"InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,21,23,25-29H,2,8,12-19H2,1,3-7H3/b10-9+/t21-,23+,25+,26+,27-,28+,29+,30+,31-/m1/s1",C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)CC,C31H48O2,pos_1_minus1proton1iron,452.365430776,MOEVEIGHSLNJAI,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 4030,2125,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,AKKNWGRLXKHQDH-QWHCGFSZSA-N,"InChI=1S/C13H20O2/c1-11(2)6-4-5-10-9-14-12(3)7-8-13(10,11)15-12/h5H,4,6-9H2,1-3H3/t12-,13+/m0/s1",CC1(C)CCC=C2CO[C@]3(C)CC[C@@]21O3,C13H20O2,pos_1_1proton1ammonium,208.14632988,AKKNWGRLXKHQDH,Terpenoids,Monoterpenoids,Carane monoterpenoids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,2,8.0 4031,2124,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.20027928,ISDB,YLUSVJDFTAATNS-APPZWSHVSA-N,"InChI=1S/C40H56O4/c1-27(17-13-19-29(3)33-21-35-37(5,6)23-31(41)25-39(35,9)43-33)15-11-12-16-28(2)18-14-20-30(4)34-22-36-38(7,8)24-32(42)26-40(36,10)44-34/h11-22,31-34,41-42H,23-26H2,1-10H3/b12-11+,17-13+,18-14+,27-15+,28-16+,29-19-,30-20+/t31-,32-,33+,34+,39+,40+/m0/s1",C/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C40H56O4,,600.417860272,YLUSVJDFTAATNS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa foetida,858747.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa foetida'],6,3,8.30111712217331 4032,2123,-1,,,,0.0,MS1_match,VADSVXSGIFBZLI-UHFFFAOYSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3",C=CCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1,C16H22O7,pos_1_1potassium,326.1365530439999,VADSVXSGIFBZLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4033,2122,-1,,,,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ammonium,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 4034,2122,-1,,,,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ammonium,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 4035,2122,-1,,,,0.0,MS1_match,UPRXEFYRIACHQZ-OMMCCPJFSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5-/t10-/m0/s1",C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4036,2122,-1,,,,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 4037,2122,-1,,,,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ammonium,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4038,2122,-1,,,,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4039,2122,-1,,,,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 4040,2122,-1,,,,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4041,2120,618,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.0,MS1_match,ZPPQIOUITZSYAO-AOBOYTTNSA-O,"InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C26H29O15+,pos_1_1sodium,581.1500966480899,ZPPQIOUITZSYAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,3,8.5 4042,2119,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.44662508,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,11.286500334739685 4043,2119,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.44662508,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,11.286500334739685 4044,2119,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.44662508,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,11.286500334739685 4045,2119,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.44662508,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,11.286500334739685 4046,2119,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.44662508,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,11.286500334739685 4047,2118,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 4048,2118,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 4049,2118,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,1,8.5 4050,2118,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,1,8.5 4051,2118,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,1,8.5 4052,2118,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 4053,2118,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,1,8.5 4054,2118,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,1,8.5 4055,2118,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,1,8.5 4056,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 4057,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AUCGRWHWAGXNQS-GIWSLNRASA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-3-1-8(2-4-10)20-18(28)16(26)14-11(24)5-9(23)6-12(14)31-20/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17-,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,AUCGRWHWAGXNQS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4058,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla,187939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Unknown'],8,3,9.5 4059,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 4060,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla tanacetifolia,880112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla tanacetifolia'],8,3,9.5 4061,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4062,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla tanacetifolia,880112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla tanacetifolia'],8,3,9.5 4063,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,3,9.5 4064,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4065,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 4066,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla tanacetifolia,880112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla tanacetifolia'],8,3,9.5 4067,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-TUPRLDOISA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21+/m0/s1",C[C@@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 4068,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,3,9.5 4069,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4070,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 4071,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-JHPRLSDPSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m1/s1",C[C@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus triloba,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,3,9.5 4072,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus ulmifolia,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,3,9.5 4073,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla tanacetifolia,880112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla tanacetifolia'],8,3,9.5 4074,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla,187939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Unknown'],8,3,9.5 4075,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 4076,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,3,9.5 4077,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AUCGRWHWAGXNQS-GIWSLNRASA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-3-1-8(2-4-10)20-18(28)16(26)14-11(24)5-9(23)6-12(14)31-20/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17-,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,AUCGRWHWAGXNQS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4078,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus salicina,190311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus salicina'],8,3,9.5 4079,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 4080,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 4081,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 4082,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla tanacetifolia,880112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla tanacetifolia'],8,3,9.5 4083,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 4084,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4085,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus ulmifolia,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,3,9.5 4086,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 4087,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus salicina,190311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus salicina'],8,3,9.5 4088,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-JHPRLSDPSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m1/s1",C[C@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus triloba,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,3,9.5 4089,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4090,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,3,9.5 4091,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-TUPRLDOISA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21+/m0/s1",C[C@@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 4092,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 4093,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,3,9.5 4094,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4095,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla,187939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Unknown'],8,3,9.5 4096,2116,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 4097,2114,208,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.30513188,ISDB,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,10.720527529716492 4098,2112,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,WPYMKLBDIGXBTP-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",O=C(O)c1ccccc1,C7H6O2,pos_1_1proton,122.036779432,WPYMKLBDIGXBTP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4099,2111,-1,,,,0.0,MS1_match,HBXXDBKJLPLXPR-ZFVIQDPVSA-O,"InChI=1S/C23H22O12/c1-9(24)32-8-18-19(29)20(30)21(31)23(35-18)34-17-7-12-14(27)5-11(25)6-16(12)33-22(17)10-2-3-13(26)15(28)4-10/h2-7,18-21,23,29-31H,8H2,1H3,(H3-,25,26,27,28)/p+1/t18-,19-,20+,21-,23-/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H23O12+,pos_2_2proton1acetonitrile,491.11840259609,HBXXDBKJLPLXPR,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Rubus,972648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Unknown'],6,0,6.0 4100,2111,-1,,,,0.0,MS1_match,HBXXDBKJLPLXPR-ZFVIQDPVSA-O,"InChI=1S/C23H22O12/c1-9(24)32-8-18-19(29)20(30)21(31)23(35-18)34-17-7-12-14(27)5-11(25)6-16(12)33-22(17)10-2-3-13(26)15(28)4-10/h2-7,18-21,23,29-31H,8H2,1H3,(H3-,25,26,27,28)/p+1/t18-,19-,20+,21-,23-/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H23O12+,pos_2_2proton1acetonitrile,491.11840259609,HBXXDBKJLPLXPR,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Rubus,972648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Unknown'],6,0,6.0 4101,2109,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.3111733,ISDB,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,9.744693160057068 4102,2109,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.3111733,ISDB,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,9.744693160057068 4103,2108,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.20398803,ISDB,YMNKXGQZDVGTFM-UHFFFAOYSA-N,"InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)26-33(43-40)27-39(40,10)42)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)25-38(35,9)44-34/h11-23,32-34,41-42H,24-27H2,1-10H3",CC(C=CC=C(C)C=CC12OC(CC1(C)C)CC2(C)O)=CC=CC=C(C)C=CC=C(C)C1C=C2C(C)(C)CC(O)CC2(C)O1,C40H56O4,,600.417860272,YMNKXGQZDVGTFM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,6.315952122211456 4104,2108,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.20398803,ISDB,YMNKXGQZDVGTFM-ZHGZZNJISA-N,"InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)26-33(43-40)27-39(40,10)42)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)25-38(35,9)44-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33+,34+,38+,39+,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C40H56O4,,600.417860272,YMNKXGQZDVGTFM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Capsicum annuum var. annuum,433488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,6.315952122211456 4105,2105,-1,,,,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1proton1acetonitrile,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,0,6.0 4106,2105,-1,,,,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1proton1acetonitrile,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,0,6.0 4107,2104,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 4108,2104,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],7,0,7.0 4109,2104,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],7,0,7.0 4110,2104,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 4111,2104,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],7,0,7.0 4112,2104,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],7,0,7.0 4113,2104,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 4114,2104,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],7,0,7.0 4115,2104,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],7,0,7.0 4116,2103,412,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FNTJVYCFNVUBOL-UHFFFAOYSA-N,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)",O=C(O)C1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H18O12,pos_1_1proton,462.079826016,FNTJVYCFNVUBOL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,3,8.5 4117,2103,412,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FNTJVYCFNVUBOL-UHFFFAOYSA-N,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)",O=C(O)C1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H18O12,pos_1_1proton,462.079826016,FNTJVYCFNVUBOL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,3,8.5 4118,2102,-1,,,,0.0,MS1_match,NIABBGMPPWXWOJ-UHFFFAOYSA-N,"InChI=1S/C26H28O16/c27-6-13-16(32)18(34)20(36)26(40-13)41-23-17(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-22(14)24(21(23)37)42-25-19(35)15(31)11(30)7-38-25/h1-5,11,13,15-16,18-20,25-28,30-37H,6-7H2",O=c1cc(-c2ccc(O)cc2)oc2c(OC3OCC(O)C(O)C3O)c(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c12,C26H28O16,pos_1_1sodium,596.1377348159998,NIABBGMPPWXWOJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 4119,2101,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,HRUPKKAITRRGMV-GLEFEWGCSA-N,"InChI=1S/C21H16O13/c1-5(22)31-10-4-30-21(16(27)14(10)25)32-9-3-7-12-11-6(19(28)34-18(12)15(9)26)2-8(23)13(24)17(11)33-20(7)29/h2-3,10,14,16,21,23-27H,4H2,1H3/t10-,14-,16+,21-/m0/s1",CC(=O)O[C@H]1CO[C@@H](Oc2cc3c(=O)oc4c(O)c(O)cc5c(=O)oc(c2O)c3c45)[C@H](O)[C@H]1O,C21H16O13,pos_1_1proton1ammonium,476.059090572,HRUPKKAITRRGMV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus idaeus,156929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus idaeus'],6,3,7.5 4120,2100,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 4121,2099,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CAENGMLSMONNBU-QLYOBGCHSA-N,"InChI=1S/C27H30O16/c1-8-23(42-27-21(37)19(35)17(33)15(7-28)41-27)20(36)22(38)26(39-8)43-25-18(34)16-13(32)5-10(29)6-14(16)40-24(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-23,26-33,35-38H,7H2,1H3/t8-,15+,17+,19-,20-,21+,22+,23-,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,CAENGMLSMONNBU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,3,10.5 4122,2099,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 4123,2099,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 4124,2098,-1,,,,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_2MHNH3,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4125,2098,-1,,,,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_2MHNH3,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4126,2098,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_2MHNH3,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 4127,2098,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_2MHNH3,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 4128,2098,-1,,,,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_2MHNH3,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4129,2097,680,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,VKNUORWMCINMRB-UHFFFAOYSA-N,"InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3",CCOC(=O)CC(O)C(=O)OCC,C8H14O5,pos_2MHNH3,190.084123548,VKNUORWMCINMRB,Fatty acids,Fatty esters,Wax monoesters,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,3,7.5 4130,2096,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,HLVPIMVSSMJFPS-VTEUUMMASA-N,"InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H30O9,pos_1_1proton1methanol,426.1889825399999,HLVPIMVSSMJFPS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,2,9.0 4131,2096,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,HLVPIMVSSMJFPS-VTEUUMMASA-N,"InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H30O9,pos_1_1proton1methanol,426.1889825399999,HLVPIMVSSMJFPS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,2,9.0 4132,2096,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,HLVPIMVSSMJFPS-VTEUUMMASA-N,"InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H30O9,pos_1_1proton1methanol,426.1889825399999,HLVPIMVSSMJFPS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,2,9.0 4133,2095,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IUWNEFXWBDZQHK-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C27H34O16,pos_2_2proton2acetonitrile,614.184685008,IUWNEFXWBDZQHK,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,0,9.0 4134,2095,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_2_2proton2acetonitrile,614.184685008,MTCNFFCDPXLWCX,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 4135,2095,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_2_2proton2acetonitrile,614.184685008,MTCNFFCDPXLWCX,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,0,9.0 4136,2095,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UZVXGFFYDMWFAY-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-23(38-14(2)31)24(39-15(3)32)22(36)26(40-19)43-27(12-29)25(21(35)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C27H34O16,pos_2_2proton2acetonitrile,614.1846850079999,UZVXGFFYDMWFAY,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,0,9.0 4137,2095,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RVECJMKUWCVVGH-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-21(35)23(38-14(2)31)24(39-15(3)32)26(40-19)43-27(12-29)25(22(36)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_2_2proton2acetonitrile,614.184685008,RVECJMKUWCVVGH,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,0,9.0 4138,2095,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JKZKIQWFVBPCHT-BTUCETIBSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(24(39-15(3)31)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22+,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](OC(C)=O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H34O16,pos_2_2proton2acetonitrile,614.184685008,JKZKIQWFVBPCHT,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,0,9.0 4139,2095,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RXPCAYUGVCVMEX-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-24(39-15(3)31)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(21(34)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O,C27H34O16,pos_2_2proton2acetonitrile,614.184685008,RXPCAYUGVCVMEX,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,0,9.0 4140,2094,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.29578024,ISDB,,,,,,,ZYHCZHIJBQGRNF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1831209659576416 4141,2093,-1,,,,0.0,MS1_match,ZPPQIOUITZSYAO-AOBOYTTNSA-O,"InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C26H29O15+,pos_1_1proton,581.1500966480899,ZPPQIOUITZSYAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 4142,2092,553,Terpenoids,Sesquiterpenoids,,0.0,MS1_match,PABQXPPRKQRMTN-ICSFJGEMSA-N,"InChI=1S/C26H36O8/c1-10-14(3)23(28)32-19-12-16(5)22(27)26(31-9)21(19)17(6)18(34-26)13-20(25(7,8)30)33-24(29)15(4)11-2/h10-12,18-21,30H,6,13H2,1-5,7-9H3/b14-10-,15-11-/t18-,19-,20+,21+,26+/m1/s1",C=C1[C@@H](C[C@H](OC(=O)/C(C)=C\C)C(C)(C)O)O[C@]2(OC)C(=O)C(C)=C[C@@H](OC(=O)/C(C)=C\C)[C@H]12,C26H36O8,pos_1_1proton1isopropanol,476.24101811199984,PABQXPPRKQRMTN,Terpenoids,Sesquiterpenoids,,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,2,8.0 4143,2092,553,Terpenoids,Sesquiterpenoids,,0.0,MS1_match,PABQXPPRKQRMTN-UHFFFAOYSA-N,"InChI=1S/C26H36O8/c1-10-14(3)23(28)32-19-12-16(5)22(27)26(31-9)21(19)17(6)18(34-26)13-20(25(7,8)30)33-24(29)15(4)11-2/h10-12,18-21,30H,6,13H2,1-5,7-9H3",C=C1C(CC(OC(=O)C(C)=CC)C(C)(C)O)OC2(OC)C(=O)C(C)=CC(OC(=O)C(C)=CC)C12,C26H36O8,pos_1_1proton1isopropanol,476.241018112,PABQXPPRKQRMTN,Terpenoids,Sesquiterpenoids,,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,2,8.0 4144,2092,553,Terpenoids,Sesquiterpenoids,,0.0,MS1_match,PABQXPPRKQRMTN-ICSFJGEMSA-N,"InChI=1S/C26H36O8/c1-10-14(3)23(28)32-19-12-16(5)22(27)26(31-9)21(19)17(6)18(34-26)13-20(25(7,8)30)33-24(29)15(4)11-2/h10-12,18-21,30H,6,13H2,1-5,7-9H3/b14-10-,15-11-/t18-,19-,20+,21+,26+/m1/s1",C=C1[C@@H](C[C@H](OC(=O)/C(C)=C\C)C(C)(C)O)O[C@]2(OC)C(=O)C(C)=C[C@@H](OC(=O)/C(C)=C\C)[C@H]12,C26H36O8,pos_1_1proton1isopropanol,476.24101811199984,PABQXPPRKQRMTN,Terpenoids,Sesquiterpenoids,,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,2,8.0 4145,2092,553,Terpenoids,Sesquiterpenoids,,0.0,MS1_match,PABQXPPRKQRMTN-UHFFFAOYSA-N,"InChI=1S/C26H36O8/c1-10-14(3)23(28)32-19-12-16(5)22(27)26(31-9)21(19)17(6)18(34-26)13-20(25(7,8)30)33-24(29)15(4)11-2/h10-12,18-21,30H,6,13H2,1-5,7-9H3",C=C1C(CC(OC(=O)C(C)=CC)C(C)(C)O)OC2(OC)C(=O)C(C)=CC(OC(=O)C(C)=CC)C12,C26H36O8,pos_1_1proton1isopropanol,476.241018112,PABQXPPRKQRMTN,Terpenoids,Sesquiterpenoids,,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,2,8.0 4146,2091,-1,,,,0.0,MS1_match,VADSVXSGIFBZLI-UHFFFAOYSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3",C=CCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1,C16H22O7,pos_1_1proton1ethylamine,326.1365530439999,VADSVXSGIFBZLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4147,2090,-1,,,,0.44389072,ISDB,SJYNIERRENYANO-PMYXOSJASA-N,"InChI=1S/C31H36O20/c32-6-17-20(38)22(40)24(42)28(50-17)49-15-3-10(1-2-12(15)34)25-23(41)21(39)18-13(35)4-11(5-16(18)48-25)47-29-26(19(37)14(36)7-45-29)51-30-27(43)31(44,8-33)9-46-30/h1-5,14,17,19-20,22,24,26-30,32-38,40-44H,6-9H2/t14-,17-,19+,20-,22+,24-,26-,27+,28-,29+,30+,31-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12,C31H36O20,,728.179993552,SJYNIERRENYANO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hyssopus officinalis,880695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Hyssopus'],['Hyssopus officinalis'],4,0,5.775562882423401 4148,2088,415,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,BITYXLXUCSKTJS-UHFFFAOYSA-N,"InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)",CC(C)C(O)(CC(=O)O)C(=O)O,C7H12O5,pos_2MNa,176.068473484,BITYXLXUCSKTJS,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Sorbus aucuparia,217673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aucuparia'],7,0,7.0 4149,2086,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,SHZGCJCMOBCMKK-HGVZOGFYSA-N,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1",C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O,C6H12O5,pos_2MHCH3CN,164.068473484,SHZGCJCMOBCMKK,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4150,2085,77,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 4151,2085,77,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4152,2083,244,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5361564,ISDB,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,12.644625663757324 4153,2081,412,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.88179547,ISDB,DUBCCGAQYVUYEU-UHFFFAOYSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)",O=C(O)C1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H18O13,,478.0747406359999,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,3,13.02718186378479 4154,2080,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8017161,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,13.706864356994629 4155,2079,244,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 4156,2079,244,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 4157,2079,244,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 4158,2079,244,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1proton1ammonium,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 4159,2079,244,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 4160,2077,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.60976845,ISDB,NIABBGMPPWXWOJ-UHFFFAOYSA-N,"InChI=1S/C26H28O16/c27-6-13-16(32)18(34)20(36)26(40-13)41-23-17(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-22(14)24(21(23)37)42-25-19(35)15(31)11(30)7-38-25/h1-5,11,13,15-16,18-20,25-28,30-37H,6-7H2",O=c1cc(-c2ccc(O)cc2)oc2c(OC3OCC(O)C(O)C3O)c(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c12,C26H28O16,,596.1377348159998,NIABBGMPPWXWOJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,2,11.43907380104065 4161,2076,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VADSVXSGIFBZLI-UHFFFAOYSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3",C=CCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1,C16H22O7,pos_1_1proton1ammonium,326.1365530439999,VADSVXSGIFBZLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4162,2076,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LOSPKFCLBIRZGS-DZLLMUEISA-N,"InChI=1S/C14H22O7/c1-8-7-14(9(2)18-5,12(17)19-6)21-11(16)13(8,4)20-10(3)15/h8-9H,7H2,1-6H3/t8-,9+,13+,14-/m0/s1",COC(=O)[C@@]1([C@@H](C)OC)C[C@H](C)[C@@](C)(OC(C)=O)C(=O)O1,C14H22O7,pos_1_1proton1acetonitrile,302.136553044,LOSPKFCLBIRZGS,Terpenoids,Monoterpenoids,Irregular monoterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,2,8.0 4163,2076,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LOSPKFCLBIRZGS-UHFFFAOYSA-N,"InChI=1S/C14H22O7/c1-8-7-14(9(2)18-5,12(17)19-6)21-11(16)13(8,4)20-10(3)15/h8-9H,7H2,1-6H3",COC(=O)C1(C(C)OC)CC(C)C(C)(OC(C)=O)C(=O)O1,C14H22O7,pos_1_1proton1acetonitrile,302.136553044,LOSPKFCLBIRZGS,Terpenoids,Monoterpenoids,Irregular monoterpenoids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,2,8.0 4164,2075,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,VVZGWJFMILUWOO-HFVZKWEFSA-N,"InChI=1S/C17H20O10/c1-23-9-5-8-7(3-4-11(19)25-8)15(24-2)16(9)27-17-14(22)13(21)12(20)10(6-18)26-17/h3-5,10,12-14,17-18,20-22H,6H2,1-2H3/t10-,12-,13+,14-,17+/m1/s1",COc1cc2oc(=O)ccc2c(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H20O10,pos_1_1proton1ethylamine,384.1056468399999,VVZGWJFMILUWOO,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,8.5 4165,2073,340,Amino acids and Peptides,Small peptides,Aminoacids,0.906062,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,14.124248027801514 4166,2072,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 4167,2072,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 4168,2070,-1,,,,0.0,MS1_match,JJYWRQLLQAKNAD-UHFFFAOYSA-N,"InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)",CCC=C(C)C(=O)O,C6H10O2,pos_1_1proton1ammonium,114.06807956,JJYWRQLLQAKNAD,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 4169,2066,-1,,,,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1sodium1acetonitrile,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4170,2065,277,Amino acids and Peptides,Small peptides,Dipeptides,0.8041238,ISDB,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,12.716495275497437 4171,2063,-1,,,,0.0,MS1_match,TZEMRDVCZWVBHT-UTTQFQDJSA-N,"InChI=1S/C24H24O12/c25-14-5-1-12(9-16(14)27)3-7-19(29)34-11-18-21(31)22(32)23(33)24(35-18)36-20(30)8-4-13-2-6-15(26)17(28)10-13/h1-10,18,21-28,31-33H,11H2/b7-3+,8-4+/t18-,21-,22+,23-,24+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H24O12,pos_1_1sodium,504.126776208,TZEMRDVCZWVBHT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 4172,2059,436,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.27463973,ISDB,SBZWTSHAFILOTE-KKUMJFAQSA-N,"InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H/t13-,14-,15-/m0/s1",Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2O,C15H14O7,,306.073952788,SBZWTSHAFILOTE,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,2,10.098558902740479 4173,2057,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1ammonium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4174,2057,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1ammonium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4175,2056,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,RAXXBLUAHMNNDW-MHKXYFPYSA-N,"InChI=1S/C19H22O5/c1-9-7-18-8-10(9)11(20)6-12(18)19-5-3-4-17(2,16(23)24-19)14(19)13(18)15(21)22/h3,5,10-14,20H,1,4,6-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MMg,330.146723804,RAXXBLUAHMNNDW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4176,2056,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MMg,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4177,2056,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MMg,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus mandshurica,692781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mandshurica'],8,3,9.5 4178,2056,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MMg,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus sibirica,296729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus sibirica'],8,3,9.5 4179,2056,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MMg,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4180,2056,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MMg,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 4181,2056,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MMg,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4182,2056,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,UXLXLQYIDWLPKX-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,6,11-13,23H,1,4-5,7-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12C=CCC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MMg,330.146723804,UXLXLQYIDWLPKX,Terpenoids,Diterpenoids,Gibberellins,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 4183,2056,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,UXLXLQYIDWLPKX-VCBPHAENSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,6,11-13,23H,1,4-5,7-9H2,2H3,(H,20,21)/t11-,12-,13-,16+,17-,18+,19+/m1/s1",C=C1C[C@@]23C[C@@]1(O)CC[C@H]2[C@]12C=CC[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MMg,330.146723804,UXLXLQYIDWLPKX,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4184,2056,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MMg,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4185,2056,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MMg,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4186,2056,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MMg,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4187,2056,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MMg,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus mandshurica,692781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mandshurica'],8,3,9.5 4188,2056,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MMg,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 4189,2056,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MMg,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus sibirica,296729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus sibirica'],8,3,9.5 4190,2054,316,Terpenoids,Monoterpenoids,Irregular monoterpenoids,0.0,MS1_match,MKXVLYPJBLBGIO-RRGRKSGHSA-N,"InChI=1S/C16H24O8/c1-8(2)5-10-4-3-9(15(21)23-10)7-22-16-14(20)13(19)12(18)11(6-17)24-16/h3,5,10-14,16-20H,4,6-7H2,1-2H3/t10-,11+,12+,13-,14+,16+/m0/s1",CC(C)=C[C@@H]1CC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1,C16H24O8,pos_1_1sodium,344.147117728,MKXVLYPJBLBGIO,Terpenoids,Monoterpenoids,Irregular monoterpenoids,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,3,7.5 4191,2054,316,Terpenoids,Monoterpenoids,Irregular monoterpenoids,0.0,MS1_match,MKXVLYPJBLBGIO-RRGRKSGHSA-N,"InChI=1S/C16H24O8/c1-8(2)5-10-4-3-9(15(21)23-10)7-22-16-14(20)13(19)12(18)11(6-17)24-16/h3,5,10-14,16-20H,4,6-7H2,1-2H3/t10-,11+,12+,13-,14+,16+/m0/s1",CC(C)=C[C@@H]1CC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1,C16H24O8,pos_1_1sodium,344.147117728,MKXVLYPJBLBGIO,Terpenoids,Monoterpenoids,Irregular monoterpenoids,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,3,7.5 4192,2053,143,Fatty acids,Fatty amides,Primary amides,0.63981044,ISDB,AMLDBWWQKYLAHJ-UHFFFAOYSA-N,"InChI=1S/C17H35NO/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-18-17(3)19/h16H,4-15H2,1-3H3,(H,18,19)",CC(=O)NCCCCCCCCCCCCC(C)C,C17H35NO,,269.27186474,AMLDBWWQKYLAHJ,Fatty acids,Fatty amides,N-acyl amines,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,2,7.559241771697998 4193,2052,6,Amino acids and Peptides,Small peptides,Aminoacids,0.5448705,ISDB,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,11.679481983184814 4194,2052,6,Amino acids and Peptides,Small peptides,Aminoacids,0.5448705,ISDB,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,11.679481983184814 4195,2051,42,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,BHWUWPHGCCRYBU-UHFFFAOYSA-N,"InChI=1S/C11H11NO4/c1-16-9(13)6-11(15)7-4-2-3-5-8(7)12-10(11)14/h2-5,15H,6H2,1H3,(H,12,14)",COC(=O)CC1(O)C(=O)Nc2ccccc21,C11H11NO4,pos_2MFe,221.068807832,BHWUWPHGCCRYBU,Alkaloids,Tryptophan alkaloids,Simple oxindole alkaloids,Rubus coreanus,91575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus coreanus'],6,0,6.0 4196,2050,42,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.24024591,ISDB,IKXFGEKULKZDCJ-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8(6)9(15)5-3-7(14)12(17)18-11(5)10(4)16/h3,14-16H,1-2H2",O=C1CCc2c1c(O)c1cc(O)c(=O)oc1c2O,C12H8O6,,248.032087976,IKXFGEKULKZDCJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,3,8.460983633995056 4197,2049,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PQQITYGQJLPDFC-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O8,pos_1_1proton1ammonium,316.1158176,PQQITYGQJLPDFC,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],6,1,6.5 4198,2048,23,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1sodium1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Alchemilla pentaphyllea,962789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Alchemilla'],['Alchemilla pentaphyllea'],7,3,8.5 4199,2046,6,Amino acids and Peptides,Small peptides,Aminoacids,0.5448705,ISDB,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,9.679481983184814 4200,2046,6,Amino acids and Peptides,Small peptides,Aminoacids,0.5448705,ISDB,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,9.679481983184814 4201,2045,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_2_2proton2acetonitrile,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 4202,2045,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_2_2proton2acetonitrile,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4203,2045,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_2_2proton2acetonitrile,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 4204,2041,268,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,0.4645457,ISDB,DUKANLAALCEHLW-OAHLLOKOSA-N,"InChI=1S/C15H22O/c1-11(2)13-7-9-15(3)8-6-12(10-16)4-5-14(13)15/h6,10-11H,4-5,7-9H2,1-3H3/t15-/m1/s1",CC(C)C1=C2CCC(C=O)=CC[C@]2(C)CC1,C15H22O,,218.167065324,DUKANLAALCEHLW,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,9.358182787895203 4205,2040,436,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,pos_1_1proton,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 4206,2038,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.29676428,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,6.687057137489319 4207,2038,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.29676428,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,6.687057137489319 4208,2038,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.29676428,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rorippa indica,341724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Rorippa'],['Rorippa indica'],4,3,6.687057137489319 4209,2038,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.29676428,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,6.687057137489319 4210,2038,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.29676428,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,6.687057137489319 4211,2038,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.29676428,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],4,3,6.687057137489319 4212,2038,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.29676428,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Raphanus raphanistrum,376999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus raphanistrum'],4,3,6.687057137489319 4213,2038,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.29676428,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Bunias orientalis,19452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Buniadeae'],['Bunias'],['Bunias orientalis'],4,3,6.687057137489319 4214,2038,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.29676428,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rheum rhaponticum,287577.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Rumiceae'],['Rheum'],['Rheum rhaponticum'],4,3,6.687057137489319 4215,2038,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.29676428,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rheum rhabarbarum,693832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Rumiceae'],['Rheum'],['Rheum rhabarbarum'],4,3,6.687057137489319 4216,2038,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.29676428,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Adonis aleppica,6130911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aleppica'],4,3,6.687057137489319 4217,2038,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.29676428,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Swertia japonica,774409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Swertia'],['Swertia japonica'],4,3,6.687057137489319 4218,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 4219,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 4220,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-RFMFWNHYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 4221,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 4222,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 4223,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 4224,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 4225,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 4226,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,3,9.5 4227,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 4228,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 4229,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,3,9.5 4230,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 4231,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 4232,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 4233,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-RFMFWNHYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 4234,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,3,9.5 4235,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,3,9.5 4236,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 4237,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 4238,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 4239,2036,510,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2_2proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 4240,2035,268,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,0.4645457,ISDB,DUKANLAALCEHLW-OAHLLOKOSA-N,"InChI=1S/C15H22O/c1-11(2)13-7-9-15(3)8-6-12(10-16)4-5-14(13)15/h6,10-11H,4-5,7-9H2,1-3H3/t15-/m1/s1",CC(C)C1=C2CCC(C=O)=CC[C@]2(C)CC1,C15H22O,,218.167065324,DUKANLAALCEHLW,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,9.358182787895203 4241,2034,-1,,,,0.0,MS1_match,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,pos_1_1sodium,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 4242,2034,-1,,,,0.0,MS1_match,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,pos_1_1sodium,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 4243,2034,-1,,,,0.0,MS1_match,XSSDYIMYZONMBL-UHFFFAOYSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)",O=C(O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,C13H16O8,pos_1_1sodium,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 4244,2034,-1,,,,0.0,MS1_match,JQUOIYCKIVRFRH-ZZXAPCEGSA-N,"InChI=1S/C26H32O16/c27-7-16-18(31)20(33)22(35)25(41-16)39-14-4-1-10(5-13(14)30)9-38-24(37)11-2-3-12(29)15(6-11)40-26-23(36)21(34)19(32)17(8-28)42-26/h1-6,16-23,25-36H,7-9H2/t16-,17+,18-,19+,20+,21-,22-,23+,25-,26+/m1/s1",O=C(OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1)c1ccc(O)c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1,C26H32O16,pos_2_2sodium,600.169034944,JQUOIYCKIVRFRH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],7,0,7.0 4245,2029,557,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1sodium,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 4246,2028,-1,,,,0.0,MS1_match,XSSDYIMYZONMBL-UHFFFAOYSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)",O=C(O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,C13H16O8,pos_1_1proton,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 4247,2027,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,8.641126036643982 4248,2027,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus laevigata,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,8.641126036643982 4249,2027,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,8.641126036643982 4250,2027,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,8.641126036643982 4251,2027,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,3,8.641126036643982 4252,2027,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,3,8.641126036643982 4253,2027,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.2852815,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,3,8.641126036643982 4254,2025,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-UHFFFAOYSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O,C21H24O10,pos_1_1sodium,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4255,2025,-1,,,,0.0,MS1_match,ZQRNNAMGDDNHND-OYQCXUJZSA-N,"InChI=1S/C21H24O10/c22-8-17-18(26)19(27)20(28)21(31-17)30-16-7-10(23)6-15-11(16)2-4-14(29-15)9-1-3-12(24)13(25)5-9/h1,3,5-7,14,17-28H,2,4,8H2/t14-,17+,18+,19-,20+,21+/m0/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc3c2CC[C@@H](c2ccc(O)c(O)c2)O3)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O10,pos_1_1sodium,436.136946968,ZQRNNAMGDDNHND,Shikimates and Phenylpropanoids,Flavonoids,Flavans,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4256,2025,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-UHFFFAOYSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O,C21H24O10,pos_1_1sodium,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4257,2025,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-UHFFFAOYSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O,C21H24O10,pos_1_1sodium,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4258,2023,504,,,,0.0,MS1_match,NOQYJICHFNSIFZ-DIACKHNESA-N,"InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3/t9-,10-,11+,12-,14+/m1/s1",COc1cc(O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H20O9,pos_1_1potassium,332.11073221999993,NOQYJICHFNSIFZ,,,,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 4259,2023,504,,,,0.0,MS1_match,NOQYJICHFNSIFZ-DIACKHNESA-N,"InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3/t9-,10-,11+,12-,14+/m1/s1",COc1cc(O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H20O9,pos_1_1potassium,332.11073221999993,NOQYJICHFNSIFZ,,,,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 4260,2022,227,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 4261,2021,610,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,KHLDBCBSYZXYCX-NSUAHFFNSA-N,"InChI=1S/C28H44O6/c1-17(2)12-23(31)34-21-13-18-19(33-24(32)15-22(29)30)14-20-25(3,4)8-7-9-27(20,6)28(18)11-10-26(21,5)16-28/h17-21H,7-16H2,1-6H3,(H,29,30)/t18-,19+,20+,21-,26+,27+,28+/m1/s1",CC(C)CC(=O)O[C@@H]1C[C@@H]2[C@@H](OC(=O)CC(=O)O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3,C28H44O6,pos_2MFe,476.313789128,KHLDBCBSYZXYCX,Terpenoids,Diterpenoids,Villanovane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,1,7.5 4262,2020,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.55075693,ISDB,GRBHNQFQFHLCHO-DCSQKITESA-N,"InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21-,22+,23+,25+,27-,28-,29+,30-/m1/s1",C=C(C)[C@H]1CC[C@]2(C)CC[C@@]3(C)[C@H](CC[C@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O,,424.3705161559999,GRBHNQFQFHLCHO,Terpenoids,Triterpenoids,Lupane triterpenoids,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,3,10.703027725219727 4263,2019,348,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,0.4963649,ISDB,DUKANLAALCEHLW-OAHLLOKOSA-N,"InChI=1S/C15H22O/c1-11(2)13-7-9-15(3)8-6-12(10-16)4-5-14(13)15/h6,10-11H,4-5,7-9H2,1-3H3/t15-/m1/s1",CC(C)C1=C2CCC(C=O)=CC[C@]2(C)CC1,C15H22O,,218.167065324,DUKANLAALCEHLW,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,9.485459566116333 4264,2018,388,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ammonium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 4265,2018,388,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ammonium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 4266,2017,956,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,WWRCMNKATXZARA-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3",Cc1ccccc1C(C)C,C10H14,pos_1_1proton,134.109550448,WWRCMNKATXZARA,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4267,2016,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4268,2016,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4269,2016,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 4270,2016,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 4271,2016,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4272,2016,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 4273,2016,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 4274,2016,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 4275,2016,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 4276,2015,227,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 4277,2013,-1,,,,0.0,MS1_match,LGPUIKWJKFIAIH-LJKDYDQHSA-N,"InChI=1S/C26H30N2O12/c27-9-15(13-5-2-1-3-6-13)38-26-23(34)21(32)19(30)17(40-26)12-37-25-22(33)20(31)18(29)16(39-25)11-36-24(35)14-7-4-8-28-10-14/h1-8,10,15-23,25-26,29-34H,11-12H2/t15-,16+,17+,18+,19+,20-,21-,22+,23+,25+,26+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](COC(=O)c3cccnc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C26H30N2O12,pos_1_1proton1methanol,562.1798743999999,LGPUIKWJKFIAIH,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 4278,2012,238,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PCMORTLOPMLEFB-ONEGZZNKSA-N,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+",COc1cc(/C=C/C(=O)O)cc(OC)c1O,C11H12O5,pos_2MNa,224.068473484,PCMORTLOPMLEFB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 4279,2010,230,Terpenoids,Diterpenoids,Villanovane diterpenoids,0.0,MS1_match,NVTNXPADRDASMP-PEXIWSMMSA-N,"InChI=1S/C17H30O10/c1-2-3-4-5-6-24-17-15(23)13(21)12(20)10(27-17)8-26-16-14(22)11(19)9(18)7-25-16/h3-4,9-23H,2,5-8H2,1H3/b4-3-/t9-,10-,11+,12-,13+,14-,15-,16+,17-/m1/s1",CC/C=C\CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C17H30O10,pos_1_1proton1acetonitrile,394.18389716,NVTNXPADRDASMP,,,,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 4280,2009,340,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,UCTWMZQNUQWSLP-VIFPVBQESA-N,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1",CNC[C@H](O)c1ccc(O)c(O)c1,C9H13NO3,pos_1_1proton1ethylamine,183.089543276,UCTWMZQNUQWSLP,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 4281,2009,340,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,UCTWMZQNUQWSLP-VIFPVBQESA-N,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1",CNC[C@H](O)c1ccc(O)c(O)c1,C9H13NO3,pos_1_1proton1ethylamine,183.089543276,UCTWMZQNUQWSLP,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],7,0,7.0 4282,2007,366,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,0.0,MS1_match,MGUZEJUQIKUKHQ-NPUIBITLSA-N,"InChI=1S/C28H40O12/c1-14-23(30)26(33)27(34)28(40-14)39-13-18(7-16-10-21(37-4)25(32)22(11-16)38-5)17(12-29)6-15-8-19(35-2)24(31)20(9-15)36-3/h8-11,14,17-18,23,26-34H,6-7,12-13H2,1-5H3/t14-,17+,18+,23-,26+,27+,28+/m0/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C28H40O12,pos_1_1potassium,568.2519767199999,MGUZEJUQIKUKHQ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 4283,2007,366,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,0.0,MS1_match,MGUZEJUQIKUKHQ-NPUIBITLSA-N,"InChI=1S/C28H40O12/c1-14-23(30)26(33)27(34)28(40-14)39-13-18(7-16-10-21(37-4)25(32)22(11-16)38-5)17(12-29)6-15-8-19(35-2)24(31)20(9-15)36-3/h8-11,14,17-18,23,26-34H,6-7,12-13H2,1-5H3/t14-,17+,18+,23-,26+,27+,28+/m0/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C28H40O12,pos_1_1potassium,568.2519767199999,MGUZEJUQIKUKHQ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 4284,2006,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SHZMGEYUEFSGCM-DNRYLMBSSA-N,"InChI=1S/C15H20O8/c1-6-4-8(17)7-2-3-21-14(10(6)7)23-15-13(20)12(19)11(18)9(5-16)22-15/h2-4,7,9-16,18-20H,5H2,1H3/t7-,9+,10+,11+,12-,13+,14-,15-/m0/s1",CC1=CC(=O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H20O8,pos_1_1proton1ethylamine,328.1158176,SHZMGEYUEFSGCM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 4285,2005,-1,,,,0.0,MS1_match,UTECWQIXBMWRRR-LMGQGNMHSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14?,15-,17+,19?,20-,21+,22-,24-,26?,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](OC3OC(CO)[C@H](O)C(O)[C@@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4286,2005,-1,,,,0.0,MS1_match,BNSCASRSSGJHQH-UHFFFAOYSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,BNSCASRSSGJHQH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 4287,2005,-1,,,,0.0,MS1_match,BNSCASRSSGJHQH-UHFFFAOYSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,BNSCASRSSGJHQH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 4288,2005,-1,,,,0.0,MS1_match,RPVIQWDFJPYNJM-MPPJEPTCSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20-,21-,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,RPVIQWDFJPYNJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4289,2005,-1,,,,0.0,MS1_match,FDRQPMVGJOQVTL-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 4290,2005,-1,,,,0.0,MS1_match,FDRQPMVGJOQVTL-BZARIISDSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4291,2005,-1,,,,0.0,MS1_match,RPVIQWDFJPYNJM-MPPJEPTCSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20-,21-,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,RPVIQWDFJPYNJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4292,2005,-1,,,,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 4293,2005,-1,,,,0.0,MS1_match,UTECWQIXBMWRRR-LMGQGNMHSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14?,15-,17+,19?,20-,21+,22-,24-,26?,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](OC3OC(CO)[C@H](O)C(O)[C@@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4294,2005,-1,,,,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 4295,2005,-1,,,,0.0,MS1_match,FDRQPMVGJOQVTL-BZARIISDSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4296,2002,-1,,,,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1potassium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 4297,2002,-1,,,,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1potassium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4298,2002,-1,,,,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1potassium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4299,2002,-1,,,,0.0,MS1_match,KZMACGJDUUWFCH-UHFFFAOYSA-O,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(OC)c1O,C17H15O7+,pos_1_1sodium,331.08122924008995,KZMACGJDUUWFCH,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4300,2002,-1,,,,0.0,MS1_match,IODGQWWTJYDCLN-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-16-13(20)12-10(19)7-11(8-3-5-9(18)6-4-8)24-15(12)14(21)17(16)23-2/h3-7,18,20-21H,1-2H3",COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1O,C17H14O7,pos_1_1sodium,330.073952788,IODGQWWTJYDCLN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 4301,2002,-1,,,,0.0,MS1_match,HLSIOUXODPWHFI-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-5-3-8(4-6-9)15-14(21)13(20)12-10(18)7-11(19)16(23-2)17(12)24-15/h3-7,18-19,21H,1-2H3",COc1ccc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)cc1,C17H14O7,pos_1_1sodium,330.073952788,HLSIOUXODPWHFI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4302,1998,237,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Estrane steroids,0.0,MS1_match,VOXZDWNPVJITMN-PNKHAZJDSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15+,16+,17-,18-/m0/s1",C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC[C@@H]2O,C18H24O2,pos_2_2proton,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 4303,1997,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XOFDOXJFXCEFDE-CYBMUJFWSA-N,"InChI=1S/C13H18/c1-10-6-7-11-12(2,3)8-5-9-13(10,11)4/h5-7,9H,8H2,1-4H3/t13-/m1/s1",CC1=CC=C2C(C)(C)CC=C[C@]12C,C13H18,pos_1_minus1proton2potassium,174.140850576,XOFDOXJFXCEFDE,Terpenoids,Monoterpenoids,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,2,8.0 4304,1995,-1,,,,0.0,MS1_match,KEIZXGINFPDITQ-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C28H32O16,pos_2_2sodium,624.1690349439999,KEIZXGINFPDITQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 4305,1995,-1,,,,0.0,MS1_match,KEIZXGINFPDITQ-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C28H32O16,pos_2_2sodium,624.1690349439999,KEIZXGINFPDITQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 4306,1995,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 4307,1995,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 4308,1995,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 4309,1994,-1,,,,0.0,MS1_match,OEGYWKLSOORPGU-SPTVBHNHSA-N,"InChI=1S/C36H58O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18-19,21-30,37-43H,8-17H2,1-6H3/t18-,19+,21-,22-,23-,24-,25+,26-,27+,28-,29-,30+,32+,33-,34-,35-,36+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C36H58O10,pos_1_1proton1ammonium,650.402998056,OEGYWKLSOORPGU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 4310,1994,-1,,,,0.0,MS1_match,OEGYWKLSOORPGU-SPTVBHNHSA-N,"InChI=1S/C36H58O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18-19,21-30,37-43H,8-17H2,1-6H3/t18-,19+,21-,22-,23-,24-,25+,26-,27+,28-,29-,30+,32+,33-,34-,35-,36+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C36H58O10,pos_1_1proton1ammonium,650.402998056,OEGYWKLSOORPGU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 4311,1994,-1,,,,0.0,MS1_match,OEGYWKLSOORPGU-SPTVBHNHSA-N,"InChI=1S/C36H58O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18-19,21-30,37-43H,8-17H2,1-6H3/t18-,19+,21-,22-,23-,24-,25+,26-,27+,28-,29-,30+,32+,33-,34-,35-,36+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C36H58O10,pos_1_1proton1ammonium,650.402998056,OEGYWKLSOORPGU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,0,8.0 4312,1994,-1,,,,0.0,MS1_match,OEGYWKLSOORPGU-SPTVBHNHSA-N,"InChI=1S/C36H58O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18-19,21-30,37-43H,8-17H2,1-6H3/t18-,19+,21-,22-,23-,24-,25+,26-,27+,28-,29-,30+,32+,33-,34-,35-,36+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C36H58O10,pos_1_1proton1ammonium,650.402998056,OEGYWKLSOORPGU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 4313,1991,786,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,0.0,MS1_match,XPFVYQJUAUNWIW-UHFFFAOYSA-N,"InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2",OCc1ccco1,C5H6O2,pos_1_1proton1methanol,98.036779432,XPFVYQJUAUNWIW,Polyketides,Cyclic polyketides,Furans,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4314,1990,362,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,JSHLJKSNROBZCN-GKSSWXCNSA-N,"InChI=1S/C30H26O10/c31-15-4-1-13(2-5-15)29-27(38)25(17-7-6-16(32)10-24(17)39-29)26-22(36)12-20(34)18-11-23(37)28(40-30(18)26)14-3-8-19(33)21(35)9-14/h1-10,12,23,25,27-29,31-38H,11H2/t23-,25-,27-,28-,29-/m1/s1",Oc1ccc([C@H]2Oc3cc(O)ccc3[C@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)[C@H]2O)cc1,C30H26O10,pos_2_2sodium,546.1525970319999,JSHLJKSNROBZCN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 4315,1990,362,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,JSHLJKSNROBZCN-GKSSWXCNSA-N,"InChI=1S/C30H26O10/c31-15-4-1-13(2-5-15)29-27(38)25(17-7-6-16(32)10-24(17)39-29)26-22(36)12-20(34)18-11-23(37)28(40-30(18)26)14-3-8-19(33)21(35)9-14/h1-10,12,23,25,27-29,31-38H,11H2/t23-,25-,27-,28-,29-/m1/s1",Oc1ccc([C@H]2Oc3cc(O)ccc3[C@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)[C@H]2O)cc1,C30H26O10,pos_2_2sodium,546.1525970319999,JSHLJKSNROBZCN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 4316,1988,-1,,,,0.0,MS1_match,QRWNMJBTANFMHA-VBTGVMJWSA-N,"InChI=1S/C16H22O10/c1-22-8-4-7(5-9(23-2)14(8)24-3)15(21)26-16-13(20)12(19)11(18)10(6-17)25-16/h4-5,10-13,16-20H,6H2,1-3H3/t10-,11-,12+,13-,16+/m1/s1",COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,C16H22O10,pos_1_1sodium,374.1212969039999,QRWNMJBTANFMHA,,,,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],6,0,6.0 4317,1987,142,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.42057428,ISDB,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,12.182297110557556 4318,1986,831,Terpenoids,Apocarotenoids,Megastigmanes,0.4664043,ISDB,QOLJILMTPKQQQA-JGMJVPOWSA-N,"InChI=1S/C19H34O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12+,14-,15-,16+,17-,18-/m1/s1",CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H34O7,,374.230453428,QOLJILMTPKQQQA,Terpenoids,Apocarotenoids,Megastigmanes,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,9.365617156028748 4319,1986,831,Terpenoids,Apocarotenoids,Megastigmanes,0.4664043,ISDB,QOLJILMTPKQQQA-JGMJVPOWSA-N,"InChI=1S/C19H34O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12+,14-,15-,16+,17-,18-/m1/s1",CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H34O7,,374.230453428,QOLJILMTPKQQQA,Terpenoids,Apocarotenoids,Megastigmanes,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,9.365617156028748 4320,1983,-1,,,,0.0,MS1_match,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,pos_2MK,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4321,1983,-1,,,,0.0,MS1_match,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,pos_2MK,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4322,1981,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.47110674,ISDB,VMYXUZSZMNBRCN-CQSZACIVSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1",CC(C)=CCC[C@@H](C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],5,3,8.384426951408386 4323,1981,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.47110674,ISDB,VMYXUZSZMNBRCN-AWEZNQCLSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m0/s1",CC(C)=CCC[C@H](C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],5,3,8.384426951408386 4324,1979,230,Terpenoids,Diterpenoids,Villanovane diterpenoids,0.0,MS1_match,BVXCYBXEGSWALE-BLGCMAGHSA-N,"InChI=1S/C26H40O6/c1-16(27)31-18-13-19-23(2,3)8-7-9-25(19,5)26-11-10-24(4,15-26)20(12-17(18)26)32-22(29)14-21(28)30-6/h17-20H,7-15H2,1-6H3/t17-,18+,19+,20-,24+,25+,26+/m1/s1",COC(=O)CC(=O)O[C@@H]1C[C@@H]2[C@@H](OC(C)=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3,C26H40O6,pos_2MFe,448.282489,BVXCYBXEGSWALE,Terpenoids,Diterpenoids,Villanovane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,3,7.5 4325,1978,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4326,1978,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 4327,1978,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4328,1978,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4329,1978,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 4330,1978,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4331,1978,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4332,1976,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MWOOGOJBHIARFG-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",COc1cc(C=O)ccc1O,C8H8O3,pos_1_1proton1ammonium,152.047344116,MWOOGOJBHIARFG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 4333,1973,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],6,1,6.5 4334,1973,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,1,6.5 4335,1973,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],6,1,6.5 4336,1972,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XEJKMPUDEZRWRD-ARQDATDDSA-N,"InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-10-11-17(21(23)24)22-13-12-15-18(22)14-16-19(15)20(16)22/h3-8,12-13,15-20H,2,9-11,14H2,1H3,(H,23,24)/b4-3+,6-5+,8-7+",CC/C=C/C=C/C=C/CCCC(C(=O)O)C12C=CC3C4C(CC31)C42,C22H28O2,pos_1_minus1proton1iron,324.208930136,XEJKMPUDEZRWRD,Polyketides,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4337,1971,-1,,,,0.0,MS1_match,HDDLVZWGOPWKFW-UHFFFAOYSA-N,"InChI=1S/C9H14O7/c1-14-6(10)4-9(13,8(12)16-3)5-7(11)15-2/h13H,4-5H2,1-3H3",COC(=O)CC(O)(CC(=O)OC)C(=O)OC,C9H14O7,pos_1_1proton1ethylamine,234.073952788,HDDLVZWGOPWKFW,Fatty acids,Fatty esters,Wax monoesters,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4338,1969,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.32454267,ISDB,MQYXUWHLBZFQQO-QGTGJCAVSA-N,"InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O,,426.3861662199999,MQYXUWHLBZFQQO,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus pensylvanica,180915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus pensylvanica'],8,3,10.798170685768127 4339,1964,401,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,YQZCWVJLTIJRST-IISUXQLESA-N,"InChI=1S/C29H32O15/c1-10-21(36)22(37)23(38)29(40-10)44-25-18(9-30)43-27(28(24(25)39)41-11(2)31)20-15(34)7-14(33)19-16(35)8-17(42-26(19)20)12-3-5-13(32)6-4-12/h3-8,10,18,21-25,27-30,32-34,36-39H,9H2,1-2H3/t10-,18+,21-,22+,23-,24-,25+,27-,28+,29-/m0/s1",CC(=O)O[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12,C29H32O15,pos_1_1proton1acetonitrile,620.174120324,YQZCWVJLTIJRST,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,7.5 4340,1964,401,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,HMBGJEJYEHGZIP-UHFFFAOYSA-N,"InChI=1S/C29H32O15/c1-10-21(35)22(36)25(39)29(41-10)44-26-18(9-40-11(2)30)43-28(24(38)23(26)37)20-15(33)7-14(32)19-16(34)8-17(42-27(19)20)12-3-5-13(31)6-4-12/h3-8,10,18,21-26,28-29,31-33,35-39H,9H2,1-2H3",CC(=O)OCC1OC(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O,C29H32O15,pos_1_1proton1acetonitrile,620.174120324,HMBGJEJYEHGZIP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,3,7.5 4341,1964,401,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,HMBGJEJYEHGZIP-UHFFFAOYSA-N,"InChI=1S/C29H32O15/c1-10-21(35)22(36)25(39)29(41-10)44-26-18(9-40-11(2)30)43-28(24(38)23(26)37)20-15(33)7-14(32)19-16(34)8-17(42-27(19)20)12-3-5-13(31)6-4-12/h3-8,10,18,21-26,28-29,31-33,35-39H,9H2,1-2H3",CC(=O)OCC1OC(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O,C29H32O15,pos_1_1proton1acetonitrile,620.174120324,HMBGJEJYEHGZIP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,7.5 4342,1964,401,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,HMBGJEJYEHGZIP-UHFFFAOYSA-N,"InChI=1S/C29H32O15/c1-10-21(35)22(36)25(39)29(41-10)44-26-18(9-40-11(2)30)43-28(24(38)23(26)37)20-15(33)7-14(32)19-16(34)8-17(42-27(19)20)12-3-5-13(31)6-4-12/h3-8,10,18,21-26,28-29,31-33,35-39H,9H2,1-2H3",CC(=O)OCC1OC(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O,C29H32O15,pos_1_1proton1acetonitrile,620.174120324,HMBGJEJYEHGZIP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Crataegus curvisepala,547113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus curvisepala'],6,3,7.5 4343,1963,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4344,1963,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 4345,1963,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 4346,1963,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 4347,1963,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4348,1963,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 4349,1963,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 4350,1963,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 4351,1963,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4352,1962,-1,,,,0.0,MS1_match,ZSWXIMXLLJRVFT-UHFFFAOYSA-O,"InChI=1S/C32H38O19/c1-10-21(38)24(41)27(44)30(47-10)46-9-20-23(40)25(42)29(51-31-26(43)22(39)17(37)8-45-31)32(50-20)49-19-7-13-15(35)5-12(33)6-18(13)48-28(19)11-2-3-14(34)16(36)4-11/h2-7,10,17,20-27,29-32,37-44H,8-9H2,1H3,(H3-,33,34,35,36)/p+1",CC1OC(OCC2OC(Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C32H39O19+,pos_2MCa,727.20800544809,ZSWXIMXLLJRVFT,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,0,7.0 4353,1959,73,Terpenoids,Steroids,Cholestane steroids,0.3170481,ISDB,AMMKCVYTIVZBCS-XFRWUBLRSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h15-16,18-24,29H,7-14,17H2,1-6H3/t19-,20-,21+,22-,23-,24-,25-,26-,27-,28+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3,C28H46O3,,430.344695332,AMMKCVYTIVZBCS,Terpenoids,Steroids,Cholestane steroids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,6.768192410469055 4354,1959,73,Terpenoids,Steroids,Cholestane steroids,0.3170481,ISDB,AMMKCVYTIVZBCS-UHFFFAOYSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h15-16,18-24,29H,7-14,17H2,1-6H3",CC(C)C(C)CCC(C)C1CCC2C1(C)CCC1C23C=CC2(CC(O)CCC12C)OO3,C28H46O3,,430.344695332,AMMKCVYTIVZBCS,Terpenoids,Steroids,Cholestane steroids,Helianthus tuberosus,515709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus tuberosus'],4,3,6.768192410469055 4355,1957,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,PAZKVHTZNPAXBQ-AVPPRXQKSA-N,"InChI=1S/C11H18O5/c1-5-7-6-10(2,16-8(7)12)11(3,14)9(13)15-4/h7,14H,5-6H2,1-4H3/t7-,10-,11-/m1/s1",CC[C@@H]1C[C@](C)([C@](C)(O)C(=O)OC)OC1=O,C11H18O5,pos_2MHCH3CN,230.115423676,PAZKVHTZNPAXBQ,,,,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 4356,1957,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,PAZKVHTZNPAXBQ-UHFFFAOYSA-N,"InChI=1S/C11H18O5/c1-5-7-6-10(2,16-8(7)12)11(3,14)9(13)15-4/h7,14H,5-6H2,1-4H3",CCC1CC(C)(C(C)(O)C(=O)OC)OC1=O,C11H18O5,pos_2MHCH3CN,230.115423676,PAZKVHTZNPAXBQ,,,,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 4357,1956,-1,,,,0.0,MS1_match,DBFXNHHIIKEXPP-MTZOQMARSA-N,"InChI=1S/C20H28O6/c1-10-6-19-9-20(10,26)5-4-12(19)17(2)7-11(21)8-18(3,16(24)25)14(17)13(19)15(22)23/h11-14,21,26H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)/t11-,12-,13+,14-,17+,18+,19+,20-/m0/s1",C=C1C[C@@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)C[C@H](O)C[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O6,pos_1_1proton1acetonitrile,364.188588616,DBFXNHHIIKEXPP,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4358,1956,-1,,,,0.0,MS1_match,MHXCIKYXNYCMHY-AUSJPIAWSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H24O6,pos_1_1proton1ethylamine,360.157288488,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4359,1956,-1,,,,0.0,MS1_match,MHXCIKYXNYCMHY-AUSJPIAWSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H24O6,pos_1_1proton1ethylamine,360.157288488,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 4360,1956,-1,,,,0.0,MS1_match,MHXCIKYXNYCMHY-AUSJPIAWSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H24O6,pos_1_1proton1ethylamine,360.157288488,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4361,1956,-1,,,,0.0,MS1_match,MHXCIKYXNYCMHY-AUSJPIAWSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H24O6,pos_1_1proton1ethylamine,360.157288488,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 4362,1956,-1,,,,0.0,MS1_match,MHXCIKYXNYCMHY-AUSJPIAWSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H24O6,pos_1_1proton1ethylamine,360.157288488,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 4363,1956,-1,,,,0.0,MS1_match,MHXCIKYXNYCMHY-AUSJPIAWSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H24O6,pos_1_1proton1ethylamine,360.157288488,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4364,1956,-1,,,,0.0,MS1_match,MHXCIKYXNYCMHY-AUSJPIAWSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H24O6,pos_1_1proton1ethylamine,360.157288488,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 4365,1956,-1,,,,0.0,MS1_match,MHXCIKYXNYCMHY-AUSJPIAWSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H24O6,pos_1_1proton1ethylamine,360.157288488,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4366,1951,48,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1methanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 4367,1951,48,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1methanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],8,3,9.5 4368,1951,48,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1methanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,3,9.5 4369,1951,48,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1methanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 4370,1951,48,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1methanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus salicina,190311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus salicina'],8,3,9.5 4371,1951,48,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1methanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4372,1951,48,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1methanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,3,9.5 4373,1951,48,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1methanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 4374,1951,48,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1methanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4375,1951,48,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1methanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4376,1951,48,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1methanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 4377,1951,48,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1methanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 4378,1951,48,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1methanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus myrtifolia,302846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus myrtifolia'],8,3,9.5 4379,1951,48,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1methanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 4380,1951,48,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1methanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 4381,1951,48,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1methanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 4382,1951,48,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-MXNNCRBYSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9?,10-,11-,12+,13-,14-/m1/s1",N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1methanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus,731578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Unknown'],8,3,9.5 4383,1950,46,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OVRNDRQMDRJTHS-KEWYIRBNSA-N,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8?/m1/s1",CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O,C8H15NO6,pos_1_1proton1isopropanol,221.0899372,OVRNDRQMDRJTHS,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 4384,1950,46,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DNXHEGUUPJUMQT-HPFXQQBRSA-N,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15+,16-,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CCC2=O,C18H22O2,pos_2MMg,270.161979944,DNXHEGUUPJUMQT,Terpenoids,Steroids,Estrane steroids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 4385,1949,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9304616,ISDB,FDRQPMVGJOQVTL-BZARIISDSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,13.221846342086792 4386,1949,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9304616,ISDB,FDRQPMVGJOQVTL-BZARIISDSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,13.221846342086792 4387,1949,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9304616,ISDB,FDRQPMVGJOQVTL-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,13.221846342086792 4388,1947,1,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.21559222,ISDB,LKCOZWLUAKSRQM-UMAWSMADSA-N,"InChI=1S/C24H20O9/c25-14-3-1-10(5-17(14)28)12-8-21(31)32-20-9-16(27)13-7-19(30)23(33-24(13)22(12)20)11-2-4-15(26)18(29)6-11/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19-,23-/m1/s1",O=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1,C24H20O9,,452.1107322199999,LKCOZWLUAKSRQM,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,8.362368881702423 4389,1946,626,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,0.0,MS1_match,BVEBOMULMBWPIS-GFCCVEGCSA-N,"InChI=1S/C14H18O/c1-9(2)12-5-4-11-6-7-14(15)10(3)13(11)8-12/h6-7,12,15H,1,4-5,8H2,2-3H3/t12-/m1/s1",C=C(C)[C@@H]1CCc2ccc(O)c(C)c2C1,C14H18O,pos_1_minus1proton1iron,202.135765196,BVEBOMULMBWPIS,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,3,8.5 4390,1943,454,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.41858202,ISDB,XKDYFRZJOFUFSX-SSHBRRBFSA-N,"InChI=1S/C32H38O19/c1-11-19(36)22(39)24(41)29(47-11)45-8-17-20(37)23(40)25(42)30(50-17)48-14-6-15(35)18-16(7-14)49-26(12-2-4-13(34)5-3-12)27(21(18)38)51-31-28(43)32(44,9-33)10-46-31/h2-7,11,17,19-20,22-25,28-31,33-37,39-44H,8-10H2,1H3/t11-,17-,19-,20+,22+,23+,24+,25-,28+,29+,30+,31+,32-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](Oc3cc(O)c4c(=O)c(O[C@H]5OC[C@@](O)(CO)[C@@H]5O)c(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C32H38O19,,726.200728996,XKDYFRZJOFUFSX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Silphium perfoliatum,464977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Silphium'],['Silphium perfoliatum'],4,3,7.174328088760376 4391,1942,86,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_minus1proton1calcium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 4392,1942,86,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_minus1proton1calcium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 4393,1941,-1,,,,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_minus1proton1iron,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Alchemilla pentaphyllea,962789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Alchemilla'],['Alchemilla pentaphyllea'],7,0,7.0 4394,1940,109,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5976439,ISDB,BYDQKMZEOZVIJM-ZGCJARKRSA-N,"InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5-,12-9-",C/C=C\C=C1\C(C)=CCCC1(C)C,C13H20,,176.15650064,BYDQKMZEOZVIJM,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],4,3,7.890575647354126 4395,1937,515,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple coumarins,0.0,MS1_match,WPYMKLBDIGXBTP-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",O=C(O)c1ccccc1,C7H6O2,pos_1_1proton2acetonitrile,122.036779432,WPYMKLBDIGXBTP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,10.0 4396,1936,470,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6514737,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,12.105894804000854 4397,1936,470,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6514737,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,12.105894804000854 4398,1936,470,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6514737,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,12.105894804000854 4399,1935,-1,,,,0.50360906,ISDB,VTEFIBXQBGMXNK-QVHKTLOISA-N,"InChI=1S/C15H18O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h4,11-13H,2,5-7H2,1,3H3/t11-,12+,13-,15-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]3(C)CC(=O)C=C(C)[C@@H]3C[C@H]12,C15H18O3,,246.125594436,VTEFIBXQBGMXNK,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Crataegus sanguinea,60981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus sanguinea'],6,0,8.0144362449646 4400,1932,-1,,,,0.0,MS1_match,JLIDBLDQVAYHNE-YKALOCIXSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C15H20O4,pos_1_1proton1ethylamine,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4401,1932,-1,,,,0.0,MS1_match,JLIDBLDQVAYHNE-YKALOCIXSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C15H20O4,pos_1_1proton1ethylamine,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4402,1932,-1,,,,0.0,MS1_match,JLIDBLDQVAYHNE-YKALOCIXSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C15H20O4,pos_1_1proton1ethylamine,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4403,1932,-1,,,,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 4404,1932,-1,,,,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 4405,1930,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Otanthus maritimus,195139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Otanthus'],['Otanthus maritimus'],4,1,6.057331204414368 4406,1930,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea nana,395148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea nana'],4,1,6.057331204414368 4407,1930,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,6.057331204414368 4408,1930,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea maritima,869832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea maritima'],4,1,6.057331204414368 4409,1930,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea formosa,4416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea formosa'],4,1,6.057331204414368 4410,1930,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper formosum,6030745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper formosum'],4,1,6.057331204414368 4411,1930,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Leucocyclus formosus,616330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Leucocyclus'],['Leucocyclus formosus'],4,1,6.057331204414368 4412,1930,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-UHFFFAOYSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)",CCCCCC=CCCC=CC=CC(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,6.057331204414368 4413,1930,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum petiolare,5747734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum petiolare'],4,1,6.057331204414368 4414,1928,417,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,ODBLHEXUDAPZAU-ZAFYKAAXSA-N,"InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4+/m0/s1",O=C(O)C[C@H](C(=O)O)[C@@H](O)C(=O)O,C6H8O7,pos_1_1proton1ammonium,192.027002596,ODBLHEXUDAPZAU,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 4415,1928,417,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,ODBLHEXUDAPZAU-UHFFFAOYSA-N,"InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)",O=C(O)CC(C(=O)O)C(O)C(=O)O,C6H8O7,pos_1_1proton1ammonium,192.027002596,ODBLHEXUDAPZAU,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 4416,1926,644,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,UBWUZHMCADSLDT-SOHRVHQUSA-N,"InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C21H36O8,pos_1_1sodium,416.241018112,UBWUZHMCADSLDT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 4417,1925,640,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CAENGMLSMONNBU-QLYOBGCHSA-N,"InChI=1S/C27H30O16/c1-8-23(42-27-21(37)19(35)17(33)15(7-28)41-27)20(36)22(38)26(39-8)43-25-18(34)16-13(32)5-10(29)6-14(16)40-24(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-23,26-33,35-38H,7H2,1H3/t8-,15+,17+,19-,20-,21+,22+,23-,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1sodium,610.15338488,CAENGMLSMONNBU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,3,10.5 4418,1925,640,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 4419,1925,640,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 4420,1924,-1,,,,0.0,MS1_match,NLKKHZDQGNSHOS-DODNOZFWSA-N,"InChI=1S/C23H30O13/c1-11(24)31-10-18-20(32-12(2)25)21(33-13(3)26)22(34-14(4)27)23(36-18)35-15-8-16(28-5)19(30-7)17(9-15)29-6/h8-9,18,20-23H,10H2,1-7H3/t18-,20-,21+,22-,23-/m1/s1",COc1cc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc(OC)c1OC,C23H30O13,pos_1_1proton2acetonitrile,514.16864102,NLKKHZDQGNSHOS,Shikimates and Phenylpropanoids,,,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 4421,1922,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 4422,1922,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4423,1922,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 4424,1922,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 4425,1921,88,Polyketides,Meroterpenoids,Naphthalenes and derivatives,0.49209008,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,3,7.4683603048324585 4426,1920,-1,,,,0.0,MS1_match,WGPCZPLRVAWXPW-UHFFFAOYSA-N,"InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3",CCCCCCCCC1CCC(=O)O1,C12H22O2,pos_2MHNH3,198.161979944,WGPCZPLRVAWXPW,Fatty acids,Fatty esters,Lactones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4427,1920,-1,,,,0.0,MS1_match,YUECNVSODFDKOQ-UHFFFAOYSA-N,"InChI=1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3",CCCCCCOC(=O)C(C)CC,C11H22O2,pos_2MHCH3CN,186.161979944,YUECNVSODFDKOQ,Fatty acids,Fatty esters,Wax monoesters,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 4428,1919,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MRPJBTFHICBFNE-UHFFFAOYSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3",COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2=O,C16H14O7,pos_1_1proton1methanol,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,1,8.5 4429,1919,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MRPJBTFHICBFNE-JKSUJKDBSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3/t15-,16+/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2=O,C16H14O7,pos_1_1proton1methanol,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,1,8.5 4430,1913,458,Terpenoids,Monoterpenoids,Irregular monoterpenoids,0.0,MS1_match,LOSPKFCLBIRZGS-DZLLMUEISA-N,"InChI=1S/C14H22O7/c1-8-7-14(9(2)18-5,12(17)19-6)21-11(16)13(8,4)20-10(3)15/h8-9H,7H2,1-6H3/t8-,9+,13+,14-/m0/s1",COC(=O)[C@@]1([C@@H](C)OC)C[C@H](C)[C@@](C)(OC(C)=O)C(=O)O1,C14H22O7,pos_1_1proton1ethylamine,302.136553044,LOSPKFCLBIRZGS,Terpenoids,Monoterpenoids,Irregular monoterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,3,8.5 4431,1913,458,Terpenoids,Monoterpenoids,Irregular monoterpenoids,0.0,MS1_match,LOSPKFCLBIRZGS-UHFFFAOYSA-N,"InChI=1S/C14H22O7/c1-8-7-14(9(2)18-5,12(17)19-6)21-11(16)13(8,4)20-10(3)15/h8-9H,7H2,1-6H3",COC(=O)C1(C(C)OC)CC(C)C(C)(OC(C)=O)C(=O)O1,C14H22O7,pos_1_1proton1ethylamine,302.136553044,LOSPKFCLBIRZGS,Terpenoids,Monoterpenoids,Irregular monoterpenoids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,3,8.5 4432,1912,29,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,KKEXONXLVLHEJJ-FQEVSTJZSA-N,"InChI=1S/C23H20O5/c1-27-21-12-18(25)16(11-15-9-5-6-10-17(15)24)23-22(21)19(26)13-20(28-23)14-7-3-2-4-8-14/h2-10,12,20,24-25H,11,13H2,1H3/t20-/m0/s1",COc1cc(O)c(Cc2ccccc2O)c2c1C(=O)C[C@@H](c1ccccc1)O2,C23H20O5,pos_1_1proton1dmso,376.13107374,KKEXONXLVLHEJJ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Micromeles ferruginea,7637458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Micromeles'],['Micromeles ferruginea'],7,3,8.5 4433,1911,118,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,UBWUZHMCADSLDT-SOHRVHQUSA-N,"InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C21H36O8,pos_1_1proton1ammonium,416.241018112,UBWUZHMCADSLDT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 4434,1910,831,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,WTEVQBCEXWBHNA-YFHOEESVSA-N,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-",CC(C)=CCC/C(C)=C\C=O,C10H16O,pos_1_1proton1isopropanol,152.120115132,WTEVQBCEXWBHNA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 4435,1909,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 4436,1909,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 4437,1909,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 4438,1909,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4439,1909,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 4440,1909,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4441,1909,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4442,1909,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 4443,1909,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4444,1909,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 4445,1909,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,3,9.5 4446,1909,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 4447,1909,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_1_1proton,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 4448,1909,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4449,1909,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_1_1proton,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 4450,1909,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 4451,1908,-1,,,,0.0,MS1_match,UXLXLQYIDWLPKX-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,6,11-13,23H,1,4-5,7-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12C=CCC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_1_1proton,330.146723804,UXLXLQYIDWLPKX,Terpenoids,Diterpenoids,Gibberellins,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 4452,1908,-1,,,,0.0,MS1_match,ORJDDOBAOGKRJV-CQSZACIVSA-N,"InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m1/s1",COc1cc(O)c2c(c1)O[C@@H](c1ccccc1)CC2=O,C16H14O4,pos_1_1proton1isopropanol,270.089208928,ORJDDOBAOGKRJV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 4453,1908,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_1_1proton,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4454,1908,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_1_1proton,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 4455,1908,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_1_1proton,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus mandshurica,692781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mandshurica'],8,0,8.0 4456,1908,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_1_1proton,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus sibirica,296729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus sibirica'],8,0,8.0 4457,1908,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_1_1proton,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4458,1908,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_1_1proton,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4459,1908,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_1_1proton,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4460,1908,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_1_1proton,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 4461,1908,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_1_1proton,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus mandshurica,692781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mandshurica'],8,0,8.0 4462,1908,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_1_1proton,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus sibirica,296729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus sibirica'],8,0,8.0 4463,1908,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_1_1proton,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4464,1908,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_1_1proton,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4465,1908,-1,,,,0.0,MS1_match,UXLXLQYIDWLPKX-VCBPHAENSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,6,11-13,23H,1,4-5,7-9H2,2H3,(H,20,21)/t11-,12-,13-,16+,17-,18+,19+/m1/s1",C=C1C[C@@]23C[C@@]1(O)CC[C@H]2[C@]12C=CC[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_1_1proton,330.146723804,UXLXLQYIDWLPKX,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4466,1908,-1,,,,0.0,MS1_match,ORJDDOBAOGKRJV-UHFFFAOYSA-N,"InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3",COc1cc(O)c2c(c1)OC(c1ccccc1)CC2=O,C16H14O4,pos_1_1proton1isopropanol,270.089208928,ORJDDOBAOGKRJV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus,731578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Unknown'],8,0,8.0 4467,1908,-1,,,,0.0,MS1_match,ORJDDOBAOGKRJV-CQSZACIVSA-N,"InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m1/s1",COc1cc(O)c2c(c1)O[C@@H](c1ccccc1)CC2=O,C16H14O4,pos_1_1proton1isopropanol,270.089208928,ORJDDOBAOGKRJV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4468,1908,-1,,,,0.0,MS1_match,RAXXBLUAHMNNDW-MHKXYFPYSA-N,"InChI=1S/C19H22O5/c1-9-7-18-8-10(9)11(20)6-12(18)19-5-3-4-17(2,16(23)24-19)14(19)13(18)15(21)22/h3,5,10-14,20H,1,4,6-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_1_1proton,330.146723804,RAXXBLUAHMNNDW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4469,1906,-1,,,,0.0,MS1_match,XSSDYIMYZONMBL-UHFFFAOYSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)",O=C(O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,C13H16O8,pos_1_1potassium,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 4470,1905,191,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,0.4994941,ISDB,LUWBRNPYIXNQTG-UHFFFAOYSA-N,"InChI=1S/C15H24O/c1-11(2)15(16)10-9-14(4)8-7-12(3)5-6-13(14)15/h7,13,16H,1,5-6,8-10H2,2-4H3",C=C(C)C1(O)CCC2(C)CC=C(C)CCC21,C15H24O,,220.182715388,LUWBRNPYIXNQTG,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,9.497976422309875 4471,1903,678,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XZRJEYQBLXDNNU-BFFMHGNPSA-N,"InChI=1S/C19H34O9/c1-10(27-16-15(24)14(23)13(22)12(9-20)28-16)5-6-19(26)17(2,3)7-11(21)8-18(19,4)25/h5-6,10-16,20-26H,7-9H2,1-4H3/b6-5+/t10-,11+,12+,13+,14-,15+,16+,18-,19-/m0/s1",C[C@@H](/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O9,pos_1_1sodium,406.220282668,XZRJEYQBLXDNNU,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,7.5 4472,1902,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Allium sativum,748370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium sativum'],4,3,9.045213222503662 4473,1902,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,9.045213222503662 4474,1902,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Aloe africana,138839.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe africana'],4,3,9.045213222503662 4475,1902,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],4,3,9.045213222503662 4476,1902,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Cucurbita pepo,379282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Cucurbiteae'],['Cucurbita'],['Cucurbita pepo'],4,3,9.045213222503662 4477,1902,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,9.045213222503662 4478,1902,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Cucumis sativus,1006246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Benincaseae'],['Cucumis'],['Cucumis sativus'],4,3,9.045213222503662 4479,1902,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,3,9.045213222503662 4480,1902,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,3,9.045213222503662 4481,1902,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Spinacia oleracea,317784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Anserineae'],['Spinacia'],['Spinacia oleracea'],4,3,9.045213222503662 4482,1902,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Allium cepa,781600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium cepa'],4,3,9.045213222503662 4483,1902,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],4,3,9.045213222503662 4484,1902,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-UHFFFAOYSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)",NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Rauvolfia serpentina,1050238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Rauvolfia'],['Rauvolfia serpentina'],4,3,9.045213222503662 4485,1902,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,9.045213222503662 4486,1902,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,9.045213222503662 4487,1902,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Ardisia crenata,776705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia crenata'],4,3,9.045213222503662 4488,1902,520,Amino acids and Peptides,Small peptides,Tripeptides,0.8863033,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Psychotria punctata,171145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Psychotrieae'],['Psychotria'],['Psychotria punctata'],4,3,9.045213222503662 4489,1901,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4490,1901,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 4491,1901,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4492,1901,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 4493,1901,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 4494,1901,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 4495,1901,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4496,1901,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 4497,1901,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 4498,1899,-1,,,,0.0,MS1_match,HDDLVZWGOPWKFW-UHFFFAOYSA-N,"InChI=1S/C9H14O7/c1-14-6(10)4-9(13,8(12)16-3)5-7(11)15-2/h13H,4-5H2,1-3H3",COC(=O)CC(O)(CC(=O)OC)C(=O)OC,C9H14O7,pos_1_1proton1ammonium,234.073952788,HDDLVZWGOPWKFW,Fatty acids,Fatty esters,Wax monoesters,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4499,1896,142,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.5161964,ISDB,UMEJBWOWZDRULR-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3",CC1=CCC(C(C)C=O)CC1,C10H16O,,152.120115132,UMEJBWOWZDRULR,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,2,11.064785718917847 4500,1895,-1,,,,0.0,MS1_match,MLKQAGPAYHTNQQ-BRDPIYJESA-N,"InChI=1S/C36H58O10/c1-18-10-13-36(30(43)46-29-26(41)25(40)24(39)21(17-37)45-29)15-14-33(5)19(27(36)35(18,7)44)8-9-23-32(4)16-20(38)28(42)31(2,3)22(32)11-12-34(23,33)6/h8,18,20-29,37-42,44H,9-17H2,1-7H3/t18-,20-,21-,22+,23-,24-,25+,26-,27-,28+,29+,32+,33-,34-,35-,36+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C36H58O10,pos_1_1sodium,650.402998056,MLKQAGPAYHTNQQ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 4501,1895,-1,,,,0.0,MS1_match,CUOZRGBQTOSWAY-PWEPJYDOSA-N,"InChI=1S/C36H58O10/c1-31(2)12-14-36(30(44)46-29-26(41)25(40)24(39)20(17-37)45-29)15-13-34(6)18(23(36)28(31)43)8-9-22-33(5)16-19(38)27(42)32(3,4)21(33)10-11-35(22,34)7/h8,19-29,37-43H,9-17H2,1-7H3/t19-,20-,21+,22-,23-,24-,25+,26-,27+,28+,29+,33+,34-,35-,36+/m1/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C36H58O10,pos_1_1sodium,650.402998056,CUOZRGBQTOSWAY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 4502,1895,-1,,,,0.0,MS1_match,IGWNEOKIHCAVIU-FZFZDMCWSA-N,"InChI=1S/C36H58O10/c1-31(2)11-13-35(30(44)46-29-27(42)26(41)25(40)22(17-37)45-29)14-12-33(5)19(20(35)15-31)7-8-24-34(33,6)10-9-23-32(3,4)28(43)21(39)16-36(23,24)18-38/h7,20-29,37-43H,8-18H2,1-6H3/t20-,21+,22-,23?,24-,25-,26+,27-,28-,29+,33-,34-,35+,36-/m1/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(CO)C[C@H](O)[C@@H](O)C(C)(C)C5CC[C@]43C)[C@H]2C1,C36H58O10,pos_1_1sodium,650.402998056,IGWNEOKIHCAVIU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 4503,1895,-1,,,,0.0,MS1_match,MLKQAGPAYHTNQQ-BRDPIYJESA-N,"InChI=1S/C36H58O10/c1-18-10-13-36(30(43)46-29-26(41)25(40)24(39)21(17-37)45-29)15-14-33(5)19(27(36)35(18,7)44)8-9-23-32(4)16-20(38)28(42)31(2,3)22(32)11-12-34(23,33)6/h8,18,20-29,37-42,44H,9-17H2,1-7H3/t18-,20-,21-,22+,23-,24-,25+,26-,27-,28+,29+,32+,33-,34-,35-,36+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C36H58O10,pos_1_1sodium,650.402998056,MLKQAGPAYHTNQQ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 4504,1894,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.21099727,ISDB,UXLXLQYIDWLPKX-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,6,11-13,23H,1,4-5,7-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12C=CCC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,,330.146723804,UXLXLQYIDWLPKX,Terpenoids,Diterpenoids,Gibberellins,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.843989074230194 4505,1894,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.21099727,ISDB,UXLXLQYIDWLPKX-VCBPHAENSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,6,11-13,23H,1,4-5,7-9H2,2H3,(H,20,21)/t11-,12-,13-,16+,17-,18+,19+/m1/s1",C=C1C[C@@]23C[C@@]1(O)CC[C@H]2[C@]12C=CC[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,,330.146723804,UXLXLQYIDWLPKX,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.843989074230194 4506,1891,590,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.39166567,ISDB,YIOUPFBHICGXGU-VLXASLQNSA-N,"InChI=1S/C18H31NO/c1-5-6-7-8-9-10-11-12-13-17-14-15-18(20-4)16(2)19(17)3/h8-13,16-18H,5-7,14-15H2,1-4H3/b9-8+,11-10+,13-12+/t16-,17+,18-/m1/s1",CCCC/C=C/C=C/C=C/[C@H]1CC[C@@H](OC)[C@@H](C)N1C,C18H31NO,,277.240564612,YIOUPFBHICGXGU,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Microcos paniculata,151053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Grewieae'],['Microcos'],['Microcos paniculata'],4,3,7.066662669181824 4507,1890,590,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.39166567,ISDB,YIOUPFBHICGXGU-VLXASLQNSA-N,"InChI=1S/C18H31NO/c1-5-6-7-8-9-10-11-12-13-17-14-15-18(20-4)16(2)19(17)3/h8-13,16-18H,5-7,14-15H2,1-4H3/b9-8+,11-10+,13-12+/t16-,17+,18-/m1/s1",CCCC/C=C/C=C/C=C/[C@H]1CC[C@@H](OC)[C@@H](C)N1C,C18H31NO,,277.240564612,YIOUPFBHICGXGU,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Microcos paniculata,151053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Grewieae'],['Microcos'],['Microcos paniculata'],4,3,7.066662669181824 4508,1888,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4509,1888,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1sodium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4510,1888,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 4511,1888,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4512,1888,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1sodium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4513,1888,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 4514,1884,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.676799,ISDB,IYXQRCXQQWUFQV-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)",O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)(C(=O)O)CC1O,C25H24O12,,516.1267762079999,IYXQRCXQQWUFQV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,12.20719599723816 4515,1883,-1,,,,0.30867276,ISDB,KUODBSWFMJMVJV-AVFWISQGSA-N,"InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)29-27(39)26(24-20(36)8-15(32)9-23(24)40-29)25-21(37)11-18(34)16-10-22(38)28(41-30(16)25)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2/t22-,26-,27-,28+,29+/m0/s1",Oc1ccc([C@H]2Oc3cc(O)cc(O)c3[C@@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@@H](O)C4)[C@@H]2O)cc1,C30H26O11,,562.147511652,KUODBSWFMJMVJV,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],8,0,9.2346910238266 4516,1882,-1,,,,0.0,MS1_match,UZUHZGJWTWSEGD-UHFFFAOYSA-N,"InChI=1S/C20H28O8/c1-17(15(24)25)5-2-6-20(16(26)27)11-4-3-10-7-18(11,8-19(10,28)9-21)12(13(17)20)14(22)23/h10-13,21,28H,2-9H2,1H3,(H,22,23)(H,24,25)(H,26,27)",CC1(C(=O)O)CCCC2(C(=O)O)C1C(C(=O)O)C13CC(CCC12)C(O)(CO)C3,C20H28O8,pos_1_1proton1ammonium,396.1784178559999,UZUHZGJWTWSEGD,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4517,1882,-1,,,,0.0,MS1_match,ZTHSABILDCCHJR-XLKGFZLASA-N,"InChI=1S/C18H24O8/c1-9(2)3-4-10-7-11(17(23)24)5-6-12(10)25-18-16(22)15(21)14(20)13(8-19)26-18/h3,5-7,13-16,18-22H,4,8H2,1-2H3,(H,23,24)/t13-,14-,15+,16-,18-/m1/s1",CC(C)=CCc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H24O8,pos_1_1proton1ethylamine,368.147117728,ZTHSABILDCCHJR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 4518,1882,-1,,,,0.0,MS1_match,ZTHSABILDCCHJR-XLKGFZLASA-N,"InChI=1S/C18H24O8/c1-9(2)3-4-10-7-11(17(23)24)5-6-12(10)25-18-16(22)15(21)14(20)13(8-19)26-18/h3,5-7,13-16,18-22H,4,8H2,1-2H3,(H,23,24)/t13-,14-,15+,16-,18-/m1/s1",CC(C)=CCc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H24O8,pos_1_1proton1ethylamine,368.147117728,ZTHSABILDCCHJR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 4519,1882,-1,,,,0.0,MS1_match,ZTHSABILDCCHJR-XLKGFZLASA-N,"InChI=1S/C18H24O8/c1-9(2)3-4-10-7-11(17(23)24)5-6-12(10)25-18-16(22)15(21)14(20)13(8-19)26-18/h3,5-7,13-16,18-22H,4,8H2,1-2H3,(H,23,24)/t13-,14-,15+,16-,18-/m1/s1",CC(C)=CCc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H24O8,pos_1_1proton1ethylamine,368.147117728,ZTHSABILDCCHJR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 4520,1881,277,Amino acids and Peptides,Small peptides,Dipeptides,0.6873881,ISDB,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,12.249552488327026 4521,1879,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28202975,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,10.628118991851807 4522,1879,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28202975,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,10.628118991851807 4523,1879,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28202975,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,10.628118991851807 4524,1879,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28202975,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,10.628118991851807 4525,1879,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28202975,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,10.628118991851807 4526,1877,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1sodium,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 4527,1877,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1sodium,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,8.5 4528,1876,-1,,,,0.0,MS1_match,NVTNXPADRDASMP-PEXIWSMMSA-N,"InChI=1S/C17H30O10/c1-2-3-4-5-6-24-17-15(23)13(21)12(20)10(27-17)8-26-16-14(22)11(19)9(18)7-25-16/h3-4,9-23H,2,5-8H2,1H3/b4-3-/t9-,10-,11+,12-,13+,14-,15-,16+,17-/m1/s1",CC/C=C\CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C17H30O10,pos_1_1proton1acetonitrile,394.18389716,NVTNXPADRDASMP,,,,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 4529,1875,-1,,,,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 4530,1873,36,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,UBWUZHMCADSLDT-SOHRVHQUSA-N,"InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C21H36O8,pos_1_1proton1ammonium,416.241018112,UBWUZHMCADSLDT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,7.5 4531,1871,-1,,,,0.40440056,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,9.617602229118347 4532,1871,-1,,,,0.40440056,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,9.617602229118347 4533,1871,-1,,,,0.40440056,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,9.617602229118347 4534,1870,-1,,,,0.0,MS1_match,AONAZOLOPHLZDH-LLFZRSNRSA-N,"InChI=1S/C21H25NO5S/c1-7-10(2)20(24)26-13-8-14(21(5,6)25)27-18-15(11(13)3)19-16(22-9-28-19)12(4)17(18)23/h7,9,13-14,23,25H,3,8H2,1-2,4-6H3/b10-7-/t13-,14+/m1/s1",C=C1c2c(c(O)c(C)c3ncsc23)O[C@H](C(C)(C)O)C[C@H]1OC(=O)/C(C)=C\C,C21H25NO5S,pos_1_1proton,403.14534390000006,AONAZOLOPHLZDH,,,,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 4535,1870,-1,,,,0.0,MS1_match,AONAZOLOPHLZDH-UHFFFAOYSA-N,"InChI=1S/C21H25NO5S/c1-7-10(2)20(24)26-13-8-14(21(5,6)25)27-18-15(11(13)3)19-16(22-9-28-19)12(4)17(18)23/h7,9,13-14,23,25H,3,8H2,1-2,4-6H3",C=C1c2c(c(O)c(C)c3ncsc23)OC(C(C)(C)O)CC1OC(=O)C(C)=CC,C21H25NO5S,pos_1_1proton,403.1453439,AONAZOLOPHLZDH,,,,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 4536,1870,-1,,,,0.0,MS1_match,AONAZOLOPHLZDH-LLFZRSNRSA-N,"InChI=1S/C21H25NO5S/c1-7-10(2)20(24)26-13-8-14(21(5,6)25)27-18-15(11(13)3)19-16(22-9-28-19)12(4)17(18)23/h7,9,13-14,23,25H,3,8H2,1-2,4-6H3/b10-7-/t13-,14+/m1/s1",C=C1c2c(c(O)c(C)c3ncsc23)O[C@H](C(C)(C)O)C[C@H]1OC(=O)/C(C)=C\C,C21H25NO5S,pos_1_1proton,403.14534390000006,AONAZOLOPHLZDH,,,,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 4537,1870,-1,,,,0.0,MS1_match,AONAZOLOPHLZDH-UHFFFAOYSA-N,"InChI=1S/C21H25NO5S/c1-7-10(2)20(24)26-13-8-14(21(5,6)25)27-18-15(11(13)3)19-16(22-9-28-19)12(4)17(18)23/h7,9,13-14,23,25H,3,8H2,1-2,4-6H3",C=C1c2c(c(O)c(C)c3ncsc23)OC(C(C)(C)O)CC1OC(=O)C(C)=CC,C21H25NO5S,pos_1_1proton,403.1453439,AONAZOLOPHLZDH,,,,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 4538,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4539,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],8,0,8.0 4540,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,0,8.0 4541,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 4542,1869,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-JXCVSLFXSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@@H]3c5c(O)cc(O)cc5O[C@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@H]2O)cc1,C30H24O10,pos_2_2proton,544.1369469679997,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 4543,1869,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-BDHPMLJSSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27+,29+,30-/m1/s1",Oc1ccc([C@@H]2Oc3c(c(O)cc4c3[C@@H]3c5c(O)cc(O)cc5O[C@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@H]2O)cc1,C30H24O10,pos_2_2proton,544.1369469679998,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 4544,1869,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-LQBIBLAPSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc(O)cc5O[C@@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@@H]2O)cc1,C30H24O10,pos_2_2proton,544.136946968,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4545,1869,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-LQBIBLAPSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc(O)cc5O[C@@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@@H]2O)cc1,C30H24O10,pos_2_2proton,544.136946968,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4546,1869,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-JXCVSLFXSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@@H]3c5c(O)cc(O)cc5O[C@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@H]2O)cc1,C30H24O10,pos_2_2proton,544.1369469679997,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 4547,1869,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-JXCVSLFXSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@@H]3c5c(O)cc(O)cc5O[C@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@H]2O)cc1,C30H24O10,pos_2_2proton,544.1369469679997,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 4548,1869,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-BDHPMLJSSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27+,29+,30-/m1/s1",Oc1ccc([C@@H]2Oc3c(c(O)cc4c3[C@@H]3c5c(O)cc(O)cc5O[C@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@H]2O)cc1,C30H24O10,pos_2_2proton,544.1369469679998,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 4549,1869,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-LQBIBLAPSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc(O)cc5O[C@@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@@H]2O)cc1,C30H24O10,pos_2_2proton,544.136946968,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4550,1869,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-LQBIBLAPSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc(O)cc5O[C@@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@@H]2O)cc1,C30H24O10,pos_2_2proton,544.136946968,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4551,1869,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-JXCVSLFXSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@@H]3c5c(O)cc(O)cc5O[C@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@H]2O)cc1,C30H24O10,pos_2_2proton,544.1369469679997,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 4552,1869,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-JXCVSLFXSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@@H]3c5c(O)cc(O)cc5O[C@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@H]2O)cc1,C30H24O10,pos_2_2proton,544.1369469679997,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 4553,1869,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-BDHPMLJSSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27+,29+,30-/m1/s1",Oc1ccc([C@@H]2Oc3c(c(O)cc4c3[C@@H]3c5c(O)cc(O)cc5O[C@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@H]2O)cc1,C30H24O10,pos_2_2proton,544.1369469679998,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 4554,1869,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-LQBIBLAPSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc(O)cc5O[C@@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@@H]2O)cc1,C30H24O10,pos_2_2proton,544.136946968,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4555,1869,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-LQBIBLAPSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc(O)cc5O[C@@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@@H]2O)cc1,C30H24O10,pos_2_2proton,544.136946968,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4556,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 4557,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,0,8.0 4558,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 4559,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],8,0,8.0 4560,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4561,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 4562,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 4563,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4564,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,0,8.0 4565,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 4566,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 4567,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],8,0,8.0 4568,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4569,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 4570,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 4571,1869,-1,,,,0.0,MS1_match,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 4572,1869,-1,,,,0.0,MS1_match,LQRHGTVFFPMWCG-JXCVSLFXSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@@H]3c5c(O)cc(O)cc5O[C@](c5ccc(O)cc5)(O4)[C@H]3O)C[C@H]2O)cc1,C30H24O10,pos_2_2proton,544.1369469679997,LQRHGTVFFPMWCG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 4573,1868,-1,,,,0.0,MS1_match,TUDVISHNHBQYQJ-MCIHCYAUSA-N,"InChI=1S/C24H40O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h7,13,15-22,25,27-31H,5-6,8-11H2,1-4H3/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H40O11,pos_1_1sodium1acetonitrile,504.2570621,TUDVISHNHBQYQJ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 4574,1868,-1,,,,0.0,MS1_match,TUDVISHNHBQYQJ-MCIHCYAUSA-N,"InChI=1S/C24H40O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h7,13,15-22,25,27-31H,5-6,8-11H2,1-4H3/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H40O11,pos_1_1sodium1acetonitrile,504.2570621,TUDVISHNHBQYQJ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 4575,1868,-1,,,,0.0,MS1_match,NQBMFFMRSAECDY-DDEFCHDZSA-N,"InChI=1S/C24H40O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13-22,25-31H,8-11H2,1-4H3/b6-5+/t13-,14-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H40O11,pos_1_1sodium1acetonitrile,504.2570621,NQBMFFMRSAECDY,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 4576,1868,-1,,,,0.0,MS1_match,NQBMFFMRSAECDY-DDEFCHDZSA-N,"InChI=1S/C24H40O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13-22,25-31H,8-11H2,1-4H3/b6-5+/t13-,14-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H40O11,pos_1_1sodium1acetonitrile,504.2570621,NQBMFFMRSAECDY,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 4577,1868,-1,,,,0.0,MS1_match,HEPRIYFSINSFQU-BVMAHHMQSA-N,"InChI=1S/C24H40O11/c1-11-7-13(8-24(3,4)14(11)6-5-12(2)25)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h13,15-23,26-31H,5-10H2,1-4H3/t13-,15-,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1",CC(=O)CCC1=C(C)C[C@@H](O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C24H40O11,pos_1_1sodium1acetonitrile,504.2570621,HEPRIYFSINSFQU,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 4578,1867,531,Terpenoids,Lignans,Dibenzylbutane lignans,0.0,MS1_match,MGUZEJUQIKUKHQ-NPUIBITLSA-N,"InChI=1S/C28H40O12/c1-14-23(30)26(33)27(34)28(40-14)39-13-18(7-16-10-21(37-4)25(32)22(11-16)38-5)17(12-29)6-15-8-19(35-2)24(31)20(9-15)36-3/h8-11,14,17-18,23,26-34H,6-7,12-13H2,1-5H3/t14-,17+,18+,23-,26+,27+,28+/m0/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C28H40O12,pos_1_1proton1ammonium,568.2519767199999,MGUZEJUQIKUKHQ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 4579,1867,531,Terpenoids,Lignans,Dibenzylbutane lignans,0.0,MS1_match,MGUZEJUQIKUKHQ-NPUIBITLSA-N,"InChI=1S/C28H40O12/c1-14-23(30)26(33)27(34)28(40-14)39-13-18(7-16-10-21(37-4)25(32)22(11-16)38-5)17(12-29)6-15-8-19(35-2)24(31)20(9-15)36-3/h8-11,14,17-18,23,26-34H,6-7,12-13H2,1-5H3/t14-,17+,18+,23-,26+,27+,28+/m0/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C28H40O12,pos_1_1proton1ammonium,568.2519767199999,MGUZEJUQIKUKHQ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 4580,1866,-1,,,,0.29673883,ISDB,WCDGWAIZRYMVOW-UHFFFAOYSA-N,"InChI=1S/C15H26O2/c1-7-15(6,10-8-9-12(2)3)17-14(16)11-13(4)5/h7,9,13H,1,8,10-11H2,2-6H3",C=CC(C)(CCC=C(C)C)OC(=O)CC(C)C,C15H26O2,,238.193280072,WCDGWAIZRYMVOW,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],5,0,6.1869553327560425 4581,1865,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4926188,ISDB,VMYXUZSZMNBRCN-CQSZACIVSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1",CC(C)=CCC[C@@H](C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],5,3,8.470475196838379 4582,1865,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4926188,ISDB,VMYXUZSZMNBRCN-AWEZNQCLSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m0/s1",CC(C)=CCC[C@H](C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],5,3,8.470475196838379 4583,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 4584,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,3,7.5 4585,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 4586,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 4587,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,3,7.5 4588,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 4589,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 4590,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 4591,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 4592,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,3,7.5 4593,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,3,7.5 4594,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 4595,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 4596,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,3,7.5 4597,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 4598,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 4599,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 4600,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 4601,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 4602,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 4603,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,3,7.5 4604,1862,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 4605,1861,-1,,,,0.0,MS1_match,XOFDOXJFXCEFDE-CYBMUJFWSA-N,"InChI=1S/C13H18/c1-10-6-7-11-12(2,3)8-5-9-13(10,11)4/h5-7,9H,8H2,1-4H3/t13-/m1/s1",CC1=CC=C2C(C)(C)CC=C[C@]12C,C13H18,pos_1_1proton,174.140850576,XOFDOXJFXCEFDE,Terpenoids,Monoterpenoids,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 4606,1859,562,Shikimates and Phenylpropanoids,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_2MHNH3,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,8.5 4607,1859,562,Shikimates and Phenylpropanoids,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MHNH3,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 4608,1859,562,Shikimates and Phenylpropanoids,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_2MHNH3,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,1,8.5 4609,1859,562,Shikimates and Phenylpropanoids,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MHNH3,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,1,8.5 4610,1859,562,Shikimates and Phenylpropanoids,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MHNH3,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,1,8.5 4611,1853,531,Terpenoids,Lignans,Dibenzylbutane lignans,0.0,MS1_match,MGUZEJUQIKUKHQ-NPUIBITLSA-N,"InChI=1S/C28H40O12/c1-14-23(30)26(33)27(34)28(40-14)39-13-18(7-16-10-21(37-4)25(32)22(11-16)38-5)17(12-29)6-15-8-19(35-2)24(31)20(9-15)36-3/h8-11,14,17-18,23,26-34H,6-7,12-13H2,1-5H3/t14-,17+,18+,23-,26+,27+,28+/m0/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C28H40O12,pos_1_1proton1ammonium,568.2519767199999,MGUZEJUQIKUKHQ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 4612,1853,531,Terpenoids,Lignans,Dibenzylbutane lignans,0.0,MS1_match,MGUZEJUQIKUKHQ-NPUIBITLSA-N,"InChI=1S/C28H40O12/c1-14-23(30)26(33)27(34)28(40-14)39-13-18(7-16-10-21(37-4)25(32)22(11-16)38-5)17(12-29)6-15-8-19(35-2)24(31)20(9-15)36-3/h8-11,14,17-18,23,26-34H,6-7,12-13H2,1-5H3/t14-,17+,18+,23-,26+,27+,28+/m0/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C28H40O12,pos_1_1proton1ammonium,568.2519767199999,MGUZEJUQIKUKHQ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 4613,1851,-1,,,,0.0,MS1_match,NPFVOOAXDOBMCE-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3",CCC=CCCOC(C)=O,C8H14O2,pos_1_1proton1acetonitrile,142.099379688,NPFVOOAXDOBMCE,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4614,1851,-1,,,,0.0,MS1_match,YYLLIJHXUHJATK-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3",CC(=O)OC1CCCCC1,C8H14O2,pos_1_1proton1acetonitrile,142.099379688,YYLLIJHXUHJATK,,,,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4615,1849,582,Shikimates and Phenylpropanoids,Lignans,Simple coumarins,0.0,MS1_match,IKXFGEKULKZDCJ-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8(6)9(15)5-3-7(14)12(17)18-11(5)10(4)16/h3,14-16H,1-2H2",O=C1CCc2c1c(O)c1cc(O)c(=O)oc1c2O,C12H8O6,pos_1_1proton1isopropanol,248.032087976,IKXFGEKULKZDCJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,3,7.5 4616,1848,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SOSLMHZOJATCCP-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3",CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O10,pos_1_1sodium,432.10564684,SOSLMHZOJATCCP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 4617,1848,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SOSLMHZOJATCCP-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3",CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O10,pos_1_1sodium,432.10564684,SOSLMHZOJATCCP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 4618,1845,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5413147,ISDB,BJFKUIUNGGPCAB-SGSCGOSXSA-N,"InChI=1S/C19H32O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h12,14-18,20,22-24H,5-9H2,1-4H3/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)CCC1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H32O7,,372.2148033639999,BJFKUIUNGGPCAB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Epimedium grandiflorum,655264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium grandiflorum'],4,3,7.665258884429932 4619,1845,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5413147,ISDB,BJFKUIUNGGPCAB-SGSCGOSXSA-N,"InChI=1S/C19H32O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h12,14-18,20,22-24H,5-9H2,1-4H3/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)CCC1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H32O7,,372.2148033639999,BJFKUIUNGGPCAB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Campanula medium,112632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Campanula'],['Campanula medium'],4,3,7.665258884429932 4620,1845,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5413147,ISDB,BJFKUIUNGGPCAB-SGSCGOSXSA-N,"InChI=1S/C19H32O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h12,14-18,20,22-24H,5-9H2,1-4H3/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)CCC1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H32O7,,372.2148033639999,BJFKUIUNGGPCAB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Panax notoginseng,831322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax notoginseng'],4,3,7.665258884429932 4621,1845,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5413147,ISDB,BJFKUIUNGGPCAB-VKSRGFPUSA-N,"InChI=1S/C19H32O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h12,14-18,20,22-24H,5-9H2,1-4H3/t12-,14-,15-,16+,17-,18+/m1/s1",CC(=O)CCC1=C(C)C[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H32O7,,372.2148033639999,BJFKUIUNGGPCAB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Epimedium sagittatum,175143.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium sagittatum'],4,3,7.665258884429932 4622,1844,-1,,,,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1potassium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4623,1844,-1,,,,0.0,MS1_match,IIRLJBYCOBQSFR-OPKVVABASA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)11-8-20-6-9-21(37)10-7-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1potassium,698.205814376,IIRLJBYCOBQSFR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 4624,1844,-1,,,,0.0,MS1_match,XEULPBRTZLSETH-OZNBHJLGSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)27(44-18(4)35)28(45-19(5)36)30(46-22)49-31(14-43-17(3)34)29(26(40)23(48-31)13-42-16(2)33)47-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1potassium,698.205814376,XEULPBRTZLSETH,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 4625,1844,-1,,,,0.0,MS1_match,YTERZBXYMRSCJV-WWXINNHQSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)10-9-20-7-6-8-21(37)11-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b10-9-/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C31H38O18,pos_1_1potassium,698.205814376,YTERZBXYMRSCJV,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 4626,1841,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 4627,1841,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4628,1840,36,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,UBWUZHMCADSLDT-SOHRVHQUSA-N,"InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C21H36O8,pos_1_1proton1ammonium,416.241018112,UBWUZHMCADSLDT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,7.5 4629,1839,539,Alkaloids,Pseudoalkaloids,Purine alkaloids,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_1proton1ethylamine,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 4630,1839,539,Alkaloids,Pseudoalkaloids,Purine alkaloids,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_1proton1ethylamine,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 4631,1838,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,0,8.0 4632,1838,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus ulmifolia,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,0,8.0 4633,1838,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4634,1838,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 4635,1838,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 4636,1838,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 4637,1838,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus triloba,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,0,8.0 4638,1838,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],8,0,8.0 4639,1838,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 4640,1838,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],8,0,8.0 4641,1838,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4642,1838,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 4643,1838,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,0,8.0 4644,1838,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,0,8.0 4645,1838,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 4646,1838,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 4647,1838,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4648,1838,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4649,1838,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 4650,1838,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 4651,1837,-1,,,,0.0,MS1_match,OYRNAQRKPVOICQ-JKNURMDQSA-N,"InChI=1S/C18H30O10/c1-4-25-11(12-16(28-17(12)24)9(20)5-8(2)3)7-26-18-15(23)14(22)13(21)10(6-19)27-18/h5,9-16,18-23H,4,6-7H2,1-3H3/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",CCO[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C,C18H30O10,pos_1_1proton1ammonium,406.1838971599999,OYRNAQRKPVOICQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 4652,1837,-1,,,,0.0,MS1_match,OYRNAQRKPVOICQ-JKNURMDQSA-N,"InChI=1S/C18H30O10/c1-4-25-11(12-16(28-17(12)24)9(20)5-8(2)3)7-26-18-15(23)14(22)13(21)10(6-19)27-18/h5,9-16,18-23H,4,6-7H2,1-3H3/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",CCO[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C,C18H30O10,pos_1_1proton1ammonium,406.1838971599999,OYRNAQRKPVOICQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 4653,1837,-1,,,,0.0,MS1_match,YQEDSESCWJZLEZ-UHFFFAOYSA-N,"InChI=1S/C24H35NO3/c1-14(2)11-20-22-17(5)16(4)13-18-12-15(3)7-6-8-19(26)9-10-21(27)24(18,22)23(28)25-20/h12-14,17-18,20,22H,6-11H2,1-5H3,(H,25,28)",CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)CCC(=O)CCC1,C24H35NO3,pos_1_minus1proton1calcium,385.26169398,YQEDSESCWJZLEZ,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],6,0,6.0 4654,1835,-1,,,,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1sodium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],6,0,6.0 4655,1835,-1,,,,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1sodium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 4656,1835,-1,,,,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1sodium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 4657,1833,-1,,,,0.0,MS1_match,IAUDUEQNUVKNBT-SOFGYWHQSA-N,"InChI=1S/C19H20O6/c1-22-13-7-5-12(17(10-13)24-3)6-8-15(20)19-16(21)9-14(23-2)11-18(19)25-4/h5-11,21H,1-4H3/b8-6+",COc1ccc(/C=C/C(=O)c2c(O)cc(OC)cc2OC)c(OC)c1,C19H20O6,pos_1_1proton,344.12598835999995,IAUDUEQNUVKNBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 4658,1833,-1,,,,0.0,MS1_match,WUADCCWRTIWANL-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3",COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,WUADCCWRTIWANL,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4659,1833,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,0,8.0 4660,1833,-1,,,,0.0,MS1_match,JPMYFOBNRRGFNO-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,JPMYFOBNRRGFNO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,0,8.0 4661,1833,-1,,,,0.0,MS1_match,JPMYFOBNRRGFNO-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,JPMYFOBNRRGFNO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,0,8.0 4662,1833,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,0,8.0 4663,1833,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,0,8.0 4664,1833,-1,,,,0.0,MS1_match,JPMYFOBNRRGFNO-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,JPMYFOBNRRGFNO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,0,8.0 4665,1833,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 4666,1833,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 4667,1833,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton1isopropanol,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 4668,1832,191,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,0.4550006,ISDB,LUWBRNPYIXNQTG-UHFFFAOYSA-N,"InChI=1S/C15H24O/c1-11(2)15(16)10-9-14(4)8-7-12(3)5-6-13(14)15/h7,13,16H,1,5-6,8-10H2,2-4H3",C=C(C)C1(O)CCC2(C)CC=C(C)CCC21,C15H24O,,220.182715388,LUWBRNPYIXNQTG,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,9.320002436637878 4669,1829,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,WPYMKLBDIGXBTP-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",O=C(O)c1ccccc1,C7H6O2,pos_1_1proton,122.036779432,WPYMKLBDIGXBTP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4670,1827,-1,,,,0.0,MS1_match,PNEKVLUOGHZVKV-YRRKUQMFSA-N,"InChI=1S/C26H28O14/c1-9(28)22-19(33)21(35)26(39-22)40-24-18(32)16-13(30)6-11(29)7-14(16)37-23(24)10-2-4-12(5-3-10)36-25-20(34)17(31)15(8-27)38-25/h2-7,9,15,17,19-22,25-31,33-35H,8H2,1H3/t9-,15-,17-,19-,20+,21+,22-,25+,26-/m0/s1",C[C@H](O)[C@@H]1O[C@@H](Oc2c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1O,C26H28O14,pos_1_1proton1methanol,564.147905576,PNEKVLUOGHZVKV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 4671,1825,-1,,,,0.0,MS1_match,HYRIQTUFZKVVIE-HHHXNRCGSA-N,"InChI=1S/C27H36O8/c1-12(2)9-17(28)19-23(32)16(21(30)14(5)24(19)35-8)11-27(7)25(33)15(6)22(31)20(26(27)34)18(29)10-13(3)4/h12-13,30,32-34H,9-11H2,1-8H3/t27-/m1/s1",COc1c(C)c(O)c(C[C@]2(C)C(O)=C(C)C(=O)C(C(=O)CC(C)C)=C2O)c(O)c1C(=O)CC(C)C,C27H36O8,pos_1_minus1proton1iron,488.24101811199984,HYRIQTUFZKVVIE,Polyketides,Phloroglucinols,Dimeric phloroglucinols,Hagenia abyssinica,328288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Hagenia'],['Hagenia abyssinica'],6,0,6.0 4672,1825,-1,,,,0.0,MS1_match,RYAJSQZCMQSFHI-UHFFFAOYSA-N,"InChI=1S/C27H36O8/c1-12(2)9-18(28)20-24(32)16(22(30)14(5)26(20)34-7)11-17-23(31)15(6)27(35-8)21(25(17)33)19(29)10-13(3)4/h12-13,30-33H,9-11H2,1-8H3",COc1c(C)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CC(C)C)c2O)c(O)c1C(=O)CC(C)C,C27H36O8,pos_1_minus1proton1iron,488.24101811199984,RYAJSQZCMQSFHI,Polyketides,Phloroglucinols,Acyl phloroglucinols,Hagenia abyssinica,328288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Hagenia'],['Hagenia abyssinica'],6,0,6.0 4673,1823,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.78214544,ISDB,,,,,,,ZLYIWYCHNAZAQI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.1285817623138428 4674,1822,-1,,,,0.0,MS1_match,FBSFWRHWHYMIOG-UHFFFAOYSA-N,"InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3",COC(=O)c1cc(O)c(O)c(O)c1,C8H8O5,pos_1_1proton1methanol,184.037173356,FBSFWRHWHYMIOG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 4675,1822,-1,,,,0.0,MS1_match,FBSFWRHWHYMIOG-UHFFFAOYSA-N,"InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3",COC(=O)c1cc(O)c(O)c(O)c1,C8H8O5,pos_1_1proton1methanol,184.037173356,FBSFWRHWHYMIOG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 4676,1821,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ammonium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 4677,1821,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ammonium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 4678,1821,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WSHSQJSPOLYHLM-YMILTQATSA-N,"InChI=1S/C16H20O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h4-5,11,13-17,19-21H,2-3,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2c(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CC2,C16H20O9,pos_1_1proton1ammonium,356.1107322199999,WSHSQJSPOLYHLM,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 4679,1817,3,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1sodium,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 4680,1817,3,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1sodium,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 4681,1817,3,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1sodium,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 4682,1817,3,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1sodium,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 4683,1815,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_2MMg,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 4684,1815,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_2MMg,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 4685,1815,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_2MMg,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 4686,1815,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_2MMg,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 4687,1815,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_2MMg,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 4688,1815,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_2MMg,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 4689,1814,142,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4690,1813,-1,,,,0.0,MS1_match,MLRIJUWUQTVDQE-RKQHYHRCSA-N,"InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O6,pos_1_1proton1ethylamine,284.12598836,MLRIJUWUQTVDQE,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 4691,1813,-1,,,,0.0,MS1_match,MLRIJUWUQTVDQE-RKQHYHRCSA-N,"InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O6,pos_1_1proton1ethylamine,284.12598836,MLRIJUWUQTVDQE,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 4692,1813,-1,,,,0.0,MS1_match,MLRIJUWUQTVDQE-RKQHYHRCSA-N,"InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O6,pos_1_1proton1ethylamine,284.12598836,MLRIJUWUQTVDQE,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 4693,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SMFKCIHIAHWGGL-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)C1,C17H20O9,pos_1_1sodium,368.11073221999993,SMFKCIHIAHWGGL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4694,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 4695,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4696,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4697,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4698,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 4699,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4700,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 4701,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4702,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4703,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 4704,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4705,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 4706,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4707,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4708,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 4709,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4710,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4711,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4712,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 4713,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4714,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SMFKCIHIAHWGGL-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)C1,C17H20O9,pos_1_1sodium,368.11073221999993,SMFKCIHIAHWGGL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4715,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 4716,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1sodium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4717,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4718,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4719,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1sodium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 4720,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1sodium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4721,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1sodium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 4722,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 4723,1812,20,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 4724,1810,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.62062955,ISDB,,,,,,,QSFCELCDWHMMTE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.482518196105957 4725,1808,-1,,,,0.0,MS1_match,ABOFFLDSECRPEQ-UJWQCDCRSA-N,"InChI=1S/C19H22O9/c1-26-12-5-10(4-11(21)7-12)9-2-3-14(13(22)6-9)27-19-18(25)17(24)16(23)15(8-20)28-19/h2-7,15-25H,8H2,1H3/t15-,16-,17+,18-,19-/m1/s1",COc1cc(O)cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)c1,C19H22O9,pos_1_1proton,394.126382284,ABOFFLDSECRPEQ,Shikimates and Phenylpropanoids,Isoflavonoids,,Pyracantha fortuneana,873501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha fortuneana'],7,0,7.0 4726,1806,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,LNRJPFZEOOOQOH-MYXURULXSA-N,"InChI=1S/C16H20O8/c1-22-12(18)7-6-9-4-2-3-5-10(9)23-16-15(21)14(20)13(19)11(8-17)24-16/h2-7,11,13-17,19-21H,8H2,1H3/b7-6+/t11-,13-,14+,15-,16-/m1/s1",COC(=O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O8,pos_1_1proton1ethylamine,340.1158176,LNRJPFZEOOOQOH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],8,1,8.5 4727,1806,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,ZTHSABILDCCHJR-XLKGFZLASA-N,"InChI=1S/C18H24O8/c1-9(2)3-4-10-7-11(17(23)24)5-6-12(10)25-18-16(22)15(21)14(20)13(8-19)26-18/h3,5-7,13-16,18-22H,4,8H2,1-2H3,(H,23,24)/t13-,14-,15+,16-,18-/m1/s1",CC(C)=CCc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H24O8,pos_1_1proton1ammonium,368.147117728,ZTHSABILDCCHJR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,8.5 4728,1806,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,ZTHSABILDCCHJR-XLKGFZLASA-N,"InChI=1S/C18H24O8/c1-9(2)3-4-10-7-11(17(23)24)5-6-12(10)25-18-16(22)15(21)14(20)13(8-19)26-18/h3,5-7,13-16,18-22H,4,8H2,1-2H3,(H,23,24)/t13-,14-,15+,16-,18-/m1/s1",CC(C)=CCc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H24O8,pos_1_1proton1ammonium,368.147117728,ZTHSABILDCCHJR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,1,8.5 4729,1806,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,ZTHSABILDCCHJR-XLKGFZLASA-N,"InChI=1S/C18H24O8/c1-9(2)3-4-10-7-11(17(23)24)5-6-12(10)25-18-16(22)15(21)14(20)13(8-19)26-18/h3,5-7,13-16,18-22H,4,8H2,1-2H3,(H,23,24)/t13-,14-,15+,16-,18-/m1/s1",CC(C)=CCc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H24O8,pos_1_1proton1ammonium,368.147117728,ZTHSABILDCCHJR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,1,8.5 4730,1805,618,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.0,MS1_match,ZPPQIOUITZSYAO-AOBOYTTNSA-O,"InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C26H29O15+,pos_1_1sodium,581.1500966480899,ZPPQIOUITZSYAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,3,8.5 4731,1804,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,0,6.0 4732,1804,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,0,6.0 4733,1804,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,0,6.0 4734,1804,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,0,6.0 4735,1804,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,0,6.0 4736,1804,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,0,6.0 4737,1804,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,0,6.0 4738,1804,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,0,6.0 4739,1804,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,0,6.0 4740,1801,831,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,PAZKVHTZNPAXBQ-AVPPRXQKSA-N,"InChI=1S/C11H18O5/c1-5-7-6-10(2,16-8(7)12)11(3,14)9(13)15-4/h7,14H,5-6H2,1-4H3/t7-,10-,11-/m1/s1",CC[C@@H]1C[C@](C)([C@](C)(O)C(=O)OC)OC1=O,C11H18O5,pos_2MH,230.115423676,PAZKVHTZNPAXBQ,,,,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 4741,1801,831,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,PAZKVHTZNPAXBQ-UHFFFAOYSA-N,"InChI=1S/C11H18O5/c1-5-7-6-10(2,16-8(7)12)11(3,14)9(13)15-4/h7,14H,5-6H2,1-4H3",CCC1CC(C)(C(C)(O)C(=O)OC)OC1=O,C11H18O5,pos_2MH,230.115423676,PAZKVHTZNPAXBQ,,,,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 4742,1800,-1,,,,0.0,MS1_match,UBWUZHMCADSLDT-SOHRVHQUSA-N,"InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C21H36O8,pos_1_1proton1ethylamine,416.241018112,UBWUZHMCADSLDT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 4743,1799,-1,,,,0.0,MS1_match,OVRNDRQMDRJTHS-KEWYIRBNSA-N,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8?/m1/s1",CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O,C8H15NO6,pos_1_1proton1isopropanol,221.0899372,OVRNDRQMDRJTHS,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4744,1796,-1,,,,0.0,MS1_match,MLRIJUWUQTVDQE-RKQHYHRCSA-N,"InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O6,pos_1_1sodium,284.12598836,MLRIJUWUQTVDQE,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 4745,1796,-1,,,,0.0,MS1_match,MLRIJUWUQTVDQE-RKQHYHRCSA-N,"InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O6,pos_1_1sodium,284.12598836,MLRIJUWUQTVDQE,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 4746,1796,-1,,,,0.0,MS1_match,MLRIJUWUQTVDQE-RKQHYHRCSA-N,"InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O6,pos_1_1sodium,284.12598836,MLRIJUWUQTVDQE,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 4747,1796,-1,,,,0.0,MS1_match,MGUZEJUQIKUKHQ-NPUIBITLSA-N,"InChI=1S/C28H40O12/c1-14-23(30)26(33)27(34)28(40-14)39-13-18(7-16-10-21(37-4)25(32)22(11-16)38-5)17(12-29)6-15-8-19(35-2)24(31)20(9-15)36-3/h8-11,14,17-18,23,26-34H,6-7,12-13H2,1-5H3/t14-,17+,18+,23-,26+,27+,28+/m0/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C28H40O12,pos_2_2sodium,568.2519767199999,MGUZEJUQIKUKHQ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 4748,1796,-1,,,,0.0,MS1_match,MGUZEJUQIKUKHQ-NPUIBITLSA-N,"InChI=1S/C28H40O12/c1-14-23(30)26(33)27(34)28(40-14)39-13-18(7-16-10-21(37-4)25(32)22(11-16)38-5)17(12-29)6-15-8-19(35-2)24(31)20(9-15)36-3/h8-11,14,17-18,23,26-34H,6-7,12-13H2,1-5H3/t14-,17+,18+,23-,26+,27+,28+/m0/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C28H40O12,pos_2_2sodium,568.2519767199999,MGUZEJUQIKUKHQ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 4749,1794,142,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4750,1793,445,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KEIZXGINFPDITQ-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C28H32O16,pos_2_2sodium,624.1690349439999,KEIZXGINFPDITQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 4751,1793,445,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KEIZXGINFPDITQ-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C28H32O16,pos_2_2sodium,624.1690349439999,KEIZXGINFPDITQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 4752,1793,445,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 4753,1793,445,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 4754,1793,445,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 4755,1791,-1,,,,0.0,MS1_match,RHAUKLKHALHJDY-MKTDUQEUSA-N,"InChI=1S/C20H30O11/c1-9-13(21)15(23)17(25)19(30-9)29-8-12-14(22)16(24)18(26)20(31-12)28-7-10-3-5-11(27-2)6-4-10/h3-6,9,12-26H,7-8H2,1-2H3/t9-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1",COc1ccc(CO[C@H]2O[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1,C20H30O11,pos_1_1proton1ethylamine,446.17881177999976,RHAUKLKHALHJDY,,,,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,0,6.0 4756,1791,-1,,,,0.0,MS1_match,RHAUKLKHALHJDY-MKTDUQEUSA-N,"InChI=1S/C20H30O11/c1-9-13(21)15(23)17(25)19(30-9)29-8-12-14(22)16(24)18(26)20(31-12)28-7-10-3-5-11(27-2)6-4-10/h3-6,9,12-26H,7-8H2,1-2H3/t9-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1",COc1ccc(CO[C@H]2O[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1,C20H30O11,pos_1_1proton1ethylamine,446.17881177999976,RHAUKLKHALHJDY,,,,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,0,6.0 4757,1791,-1,,,,0.0,MS1_match,STTPJOGYSWZEII-LGJFGNOYSA-N,"InChI=1S/C20H30O11/c1-9-13(22)15(24)17(26)19(30-9)29-8-12-14(23)16(25)18(27)20(31-12)28-7-11(21)10-5-3-2-4-6-10/h2-6,9,11-27H,7-8H2,1H3/t9-,11-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OC[C@H](O)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C20H30O11,pos_1_1proton1ethylamine,446.17881177999976,STTPJOGYSWZEII,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,0,6.0 4758,1791,-1,,,,0.0,MS1_match,STTPJOGYSWZEII-LGJFGNOYSA-N,"InChI=1S/C20H30O11/c1-9-13(22)15(24)17(26)19(30-9)29-8-12-14(23)16(25)18(27)20(31-12)28-7-11(21)10-5-3-2-4-6-10/h2-6,9,11-27H,7-8H2,1H3/t9-,11-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OC[C@H](O)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C20H30O11,pos_1_1proton1ethylamine,446.17881177999976,STTPJOGYSWZEII,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,0,6.0 4759,1790,-1,,,,0.0,MS1_match,ABOFFLDSECRPEQ-UJWQCDCRSA-N,"InChI=1S/C19H22O9/c1-26-12-5-10(4-11(21)7-12)9-2-3-14(13(22)6-9)27-19-18(25)17(24)16(23)15(8-20)28-19/h2-7,15-25H,8H2,1H3/t15-,16-,17+,18-,19-/m1/s1",COc1cc(O)cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)c1,C19H22O9,pos_1_1sodium,394.126382284,ABOFFLDSECRPEQ,Shikimates and Phenylpropanoids,Isoflavonoids,,Pyracantha fortuneana,873501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha fortuneana'],7,0,7.0 4760,1789,-1,,,,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1proton1ethylamine,614.184685008,MTCNFFCDPXLWCX,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 4761,1787,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ammonium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,1,8.5 4762,1787,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ammonium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 4763,1787,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ammonium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 4764,1786,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,pos_1_1proton1methanol,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4765,1786,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OCNYGKNIVPVPPX-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+",COC(=O)/C=C/c1ccc(O)c(O)c1,C10H10O4,pos_1_1proton1methanol,194.0579088,OCNYGKNIVPVPPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4766,1786,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton1methanol,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 4767,1786,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton1methanol,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4768,1786,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton1methanol,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 4769,1786,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton1methanol,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 4770,1786,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton1methanol,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 4771,1786,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,pos_1_1proton1methanol,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 4772,1786,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton1methanol,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 4773,1786,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton1methanol,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4774,1786,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,pos_1_1proton1methanol,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4775,1785,671,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,STCAYONHVRVXOL-AZLQIUJGSA-N,"InChI=1S/C14H26O9/c1-17-9-7(15)5-22-14(12(9)20-4)23-8-6-21-13(16)11(19-3)10(8)18-2/h7-16H,5-6H2,1-4H3/t7-,8-,9+,10+,11-,12-,13-,14-/m1/s1",CO[C@@H]1[C@@H](OC)[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OC)[C@H]2OC)OC[C@H]1O,C14H26O9,pos_1_1proton1acetonitrile,338.157682412,STCAYONHVRVXOL,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4776,1784,-1,,,,0.46871567,ISDB,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,10.874862670898438 4777,1783,-1,,,,0.5002264,ISDB,QFTPTUOKFIIFJH-MODFVPIOSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11-,13-,14-,15+,16-,17-,19-/m1/s1",C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.20971798399984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Helicia cochinchinensis,835265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Proteaceae'],['Unknown'],['Helicia'],['Helicia cochinchinensis'],4,0,6.000905513763428 4778,1783,-1,,,,0.5002264,ISDB,QFTPTUOKFIIFJH-MODFVPIOSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11-,13-,14-,15+,16-,17-,19-/m1/s1",C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.20971798399984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Myrsine seguinii,659787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Myrsine'],['Myrsine seguinii'],4,0,6.000905513763428 4779,1783,-1,,,,0.5002264,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],4,0,6.000905513763428 4780,1783,-1,,,,0.5002264,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia chamaemelifolia,119282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia chamaemelifolia'],4,0,6.000905513763428 4781,1783,-1,,,,0.5002264,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia gmelinii,115033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia gmelinii'],4,0,6.000905513763428 4782,1783,-1,,,,0.5002264,ISDB,QFTPTUOKFIIFJH-AATRIKPKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+",CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],4,0,6.000905513763428 4783,1783,-1,,,,0.5002264,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia stechmanniana,154486.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia santolinifolia'],4,0,6.000905513763428 4784,1783,-1,,,,0.5002264,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia santolinifolia,154486.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia santolinifolia'],4,0,6.000905513763428 4785,1782,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.20141044,ISDB,RAXXBLUAHMNNDW-MHKXYFPYSA-N,"InChI=1S/C19H22O5/c1-9-7-18-8-10(9)11(20)6-12(18)19-5-3-4-17(2,16(23)24-19)14(19)13(18)15(21)22/h3,5,10-14,20H,1,4,6-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,,330.146723804,RAXXBLUAHMNNDW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.805641770362854 4786,1781,-1,,,,0.0,MS1_match,DNQQEEOKVVSMQI-JZTLDUIISA-N,"InChI=1S/C16H19NO9/c18-6-9-11(21)12(22)13(23)14(25-9)26-16(5-10(19)20)7-3-1-2-4-8(7)17-15(16)24/h1-4,9,11-14,18,21-23H,5-6H2,(H,17,24)(H,19,20)/t9-,11-,12+,13-,14+,16-/m1/s1",O=C(O)C[C@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)Nc2ccccc21,C16H19NO9,pos_1_1proton,369.105981188,DNQQEEOKVVSMQI,Alkaloids,Tryptophan alkaloids,Simple oxindole alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 4787,1780,-1,,,,0.0,MS1_match,VQWSIJRLYROCFW-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-10-6-7-11-8(15)4-3-5-9(11)19-13(7)14(18-2)12(10)16/h3-6,15-16H,1-2H3",COc1cc2c(oc3cccc(O)c32)c(OC)c1O,C14H12O5,pos_1_1proton1methanol,260.06847348400004,VQWSIJRLYROCFW,Polyketides,Xanthones,,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,0,7.0 4788,1780,-1,,,,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Cotoneaster horizontalis,51794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster horizontalis'],7,0,7.0 4789,1780,-1,,,,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Cotoneaster divaricatus,600654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster divaricatus'],7,0,7.0 4790,1780,-1,,,,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Cotoneaster acutifolius,103228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster acutifolius'],7,0,7.0 4791,1780,-1,,,,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Chamaemespilus alpina,144393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chamaemespilus'],['Chamaemespilus alpina'],7,0,7.0 4792,1780,-1,,,,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Cormus domestica,366115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cormus'],['Cormus domestica'],7,0,7.0 4793,1780,-1,,,,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Sorbus domestica,761194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus domestica'],7,0,7.0 4794,1780,-1,,,,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Sorbus chamaemespilus,482722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus chamaemespilus'],7,0,7.0 4795,1778,-1,,,,0.0,MS1_match,FMDABYSWHIAMNR-QXHWVZJPSA-N,"InChI=1S/C27H30O16/c28-7-14-17(33)19(35)21(37)26(40-14)42-24-15(8-29)41-27(22(38)20(24)36)43-25-18(34)16-12(32)5-11(31)6-13(16)39-23(25)9-1-3-10(30)4-2-9/h1-6,14-15,17,19-22,24,26-33,35-38H,7-8H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C27H30O16,pos_1_1proton,610.15338488,FMDABYSWHIAMNR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 4796,1778,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus fruticosa,821200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus fruticosa'],8,0,8.0 4797,1778,-1,,,,0.0,MS1_match,PLKUTZNSKRWCCA-LTSKFBHWSA-O,"InChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9/h2-6,8,17-18,20-24,26-27,32,34-38H,7H2,1H3,(H4-,28,29,30,31,33)/p+1/t8-,17+,18-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O16+,pos_1_1proton,611.1606613320898,PLKUTZNSKRWCCA,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4798,1778,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4799,1778,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 4800,1778,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 4801,1778,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-FNKLJWKFSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20-,21-,22-,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4802,1778,-1,,,,0.0,MS1_match,CAENGMLSMONNBU-QLYOBGCHSA-N,"InChI=1S/C27H30O16/c1-8-23(42-27-21(37)19(35)17(33)15(7-28)41-27)20(36)22(38)26(39-8)43-25-18(34)16-13(32)5-10(29)6-14(16)40-24(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-23,26-33,35-38H,7H2,1H3/t8-,15+,17+,19-,20-,21+,22+,23-,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,CAENGMLSMONNBU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 4803,1778,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 4804,1778,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4805,1778,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 4806,1778,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-FNKLJWKFSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20-,21-,22-,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4807,1778,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-FNKLJWKFSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20-,21-,22-,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4808,1778,-1,,,,0.0,MS1_match,FYBMGZSDYDNBFX-KLUVJTJFSA-N,"InChI=1S/C27H30O16/c1-8-17(33)20(36)22(38)26(39-8)43-25-21(37)18(34)15(7-28)41-27(25)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3/t8-,15+,17-,18-,20+,21-,22+,25+,26-,27-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.1533848800001,FYBMGZSDYDNBFX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4809,1778,-1,,,,0.0,MS1_match,BITPRCODIALMOV-BZARIISDSA-N,"InChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-8-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-12(31)5-11(30)6-13(16)40-24(25)9-1-3-10(29)4-2-9/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C27H30O16,pos_1_1proton,610.15338488,BITPRCODIALMOV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4810,1778,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 4811,1778,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 4812,1778,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4813,1778,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4814,1778,-1,,,,0.0,MS1_match,FMDABYSWHIAMNR-QXHWVZJPSA-N,"InChI=1S/C27H30O16/c28-7-14-17(33)19(35)21(37)26(40-14)42-24-15(8-29)41-27(22(38)20(24)36)43-25-18(34)16-12(32)5-11(31)6-13(16)39-23(25)9-1-3-10(30)4-2-9/h1-6,14-15,17,19-22,24,26-33,35-38H,7-8H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C27H30O16,pos_1_1proton,610.15338488,FMDABYSWHIAMNR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4815,1778,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus fruticosa,821200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus fruticosa'],8,0,8.0 4816,1778,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 4817,1778,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-FNKLJWKFSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20-,21-,22-,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4818,1778,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 4819,1778,-1,,,,0.0,MS1_match,BITPRCODIALMOV-BZARIISDSA-N,"InChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-8-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-12(31)5-11(30)6-13(16)40-24(25)9-1-3-10(29)4-2-9/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C27H30O16,pos_1_1proton,610.15338488,BITPRCODIALMOV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4820,1778,-1,,,,0.0,MS1_match,FYBMGZSDYDNBFX-KLUVJTJFSA-N,"InChI=1S/C27H30O16/c1-8-17(33)20(36)22(38)26(39-8)43-25-21(37)18(34)15(7-28)41-27(25)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3/t8-,15+,17-,18-,20+,21-,22+,25+,26-,27-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.1533848800001,FYBMGZSDYDNBFX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4821,1777,367,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.0,MS1_match,JFJWMFPFMLRLMI-UHFFFAOYSA-N,"InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)",O=C1CC(C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21,C13H8O8,pos_1_1proton1isopropanol,292.021917216,JFJWMFPFMLRLMI,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Potentilla wallichiana,759832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla atrosanguinea'],6,3,7.5 4822,1776,-1,,,,0.0,MS1_match,XPALWKWOFOYYIV-UHFFFAOYSA-N,"InChI=1S/C30H38O10/c1-37-26-12-18(4-7-23(26)34)10-21(15-31)22(16-32)11-19-5-9-25(28(13-19)39-3)40-29(17-33)30(36)20-6-8-24(35)27(14-20)38-2/h4-9,12-14,21-22,29-36H,10-11,15-17H2,1-3H3",COc1cc(CC(CO)C(CO)Cc2ccc(OC(CO)C(O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O,C30H38O10,pos_1_1sodium,558.246497416,XPALWKWOFOYYIV,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 4823,1775,269,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1proton,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 4824,1775,269,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZEJXENDZTYVXDP-CSJHBIPPSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1proton,594.1584702600001,ZEJXENDZTYVXDP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 4825,1775,269,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SOVOSNMYOLGARG-QETNVOEASA-N,"InChI=1S/C27H30O15/c1-9-17(30)20(33)23(36)26(39-9)38-8-15-18(31)21(34)24(37)27(42-15)40-12-6-13(29)16-14(7-12)41-25(22(35)19(16)32)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-21,23-24,26-31,33-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1proton,594.15847026,SOVOSNMYOLGARG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 4826,1775,269,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZEJXENDZTYVXDP-CSJHBIPPSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1proton,594.1584702600001,ZEJXENDZTYVXDP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 4827,1775,269,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-ZFDPGQBLSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15-,17-,18+,20-,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H30O15,pos_1_1proton,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4828,1775,269,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1proton,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 4829,1775,269,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1proton,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 4830,1775,269,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1proton,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 4831,1773,-1,,,,0.0,MS1_match,FMDABYSWHIAMNR-QXHWVZJPSA-N,"InChI=1S/C27H30O16/c28-7-14-17(33)19(35)21(37)26(40-14)42-24-15(8-29)41-27(22(38)20(24)36)43-25-18(34)16-12(32)5-11(31)6-13(16)39-23(25)9-1-3-10(30)4-2-9/h1-6,14-15,17,19-22,24,26-33,35-38H,7-8H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C27H30O16,pos_1_1proton,610.15338488,FMDABYSWHIAMNR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 4832,1773,-1,,,,0.0,MS1_match,PLKUTZNSKRWCCA-LTSKFBHWSA-O,"InChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9/h2-6,8,17-18,20-24,26-27,32,34-38H,7H2,1H3,(H4-,28,29,30,31,33)/p+1/t8-,17+,18-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O16+,pos_1_1proton,611.1606613320898,PLKUTZNSKRWCCA,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4833,1773,-1,,,,0.0,MS1_match,FYBMGZSDYDNBFX-KLUVJTJFSA-N,"InChI=1S/C27H30O16/c1-8-17(33)20(36)22(38)26(39-8)43-25-21(37)18(34)15(7-28)41-27(25)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3/t8-,15+,17-,18-,20+,21-,22+,25+,26-,27-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.1533848800001,FYBMGZSDYDNBFX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4834,1773,-1,,,,0.0,MS1_match,FYBMGZSDYDNBFX-KLUVJTJFSA-N,"InChI=1S/C27H30O16/c1-8-17(33)20(36)22(38)26(39-8)43-25-21(37)18(34)15(7-28)41-27(25)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3/t8-,15+,17-,18-,20+,21-,22+,25+,26-,27-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.1533848800001,FYBMGZSDYDNBFX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4835,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4836,1773,-1,,,,0.0,MS1_match,CAENGMLSMONNBU-QLYOBGCHSA-N,"InChI=1S/C27H30O16/c1-8-23(42-27-21(37)19(35)17(33)15(7-28)41-27)20(36)22(38)26(39-8)43-25-18(34)16-13(32)5-10(29)6-14(16)40-24(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-23,26-33,35-38H,7H2,1H3/t8-,15+,17+,19-,20-,21+,22+,23-,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,CAENGMLSMONNBU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 4837,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-UHFFFAOYSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 4838,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-FNKLJWKFSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20-,21-,22-,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4839,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus fruticosa,821200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus fruticosa'],8,0,8.0 4840,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 4841,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 4842,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 4843,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4844,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 4845,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-FNKLJWKFSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20-,21-,22-,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4846,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-UHFFFAOYSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 4847,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4848,1773,-1,,,,0.0,MS1_match,FMDABYSWHIAMNR-QXHWVZJPSA-N,"InChI=1S/C27H30O16/c28-7-14-17(33)19(35)21(37)26(40-14)42-24-15(8-29)41-27(22(38)20(24)36)43-25-18(34)16-12(32)5-11(31)6-13(16)39-23(25)9-1-3-10(30)4-2-9/h1-6,14-15,17,19-22,24,26-33,35-38H,7-8H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C27H30O16,pos_1_1proton,610.15338488,FMDABYSWHIAMNR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4849,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-FNKLJWKFSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20-,21-,22-,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4850,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 4851,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 4852,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus fruticosa,821200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus fruticosa'],8,0,8.0 4853,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 4854,1773,-1,,,,0.0,MS1_match,OTUCXMIQUNROBJ-JFNZIVIESA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)40-10-5-13(31)16-14(6-10)41-24(9-2-3-11(29)12(30)4-9)25(19(16)34)43-27-23(38)21(36)18(33)15(7-28)42-27/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,OTUCXMIQUNROBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 4855,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 4856,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-FNKLJWKFSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20-,21-,22-,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4857,1773,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 4858,1773,-1,,,,0.0,MS1_match,BITPRCODIALMOV-BZARIISDSA-N,"InChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-8-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-12(31)5-11(30)6-13(16)40-24(25)9-1-3-10(29)4-2-9/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C27H30O16,pos_1_1proton,610.15338488,BITPRCODIALMOV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4859,1773,-1,,,,0.0,MS1_match,BITPRCODIALMOV-BZARIISDSA-N,"InChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-8-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-12(31)5-11(30)6-13(16)40-24(25)9-1-3-10(29)4-2-9/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C27H30O16,pos_1_1proton,610.15338488,BITPRCODIALMOV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 4860,1770,966,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.6648264,ISDB,HGXBRUKMWQGOIE-AFHBHXEDSA-N,"InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O)c(OC)c2)ccc1O,C20H22O6,,358.141638424,HGXBRUKMWQGOIE,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,12.159305572509766 4861,1770,966,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.6648264,ISDB,HGXBRUKMWQGOIE-AFHBHXEDSA-N,"InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O)c(OC)c2)ccc1O,C20H22O6,,358.141638424,HGXBRUKMWQGOIE,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,12.159305572509766 4862,1770,966,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.6648264,ISDB,HGXBRUKMWQGOIE-AFHBHXEDSA-N,"InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O)c(OC)c2)ccc1O,C20H22O6,,358.141638424,HGXBRUKMWQGOIE,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,12.159305572509766 4863,1770,966,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.6648264,ISDB,HGXBRUKMWQGOIE-AFHBHXEDSA-N,"InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O)c(OC)c2)ccc1O,C20H22O6,,358.141638424,HGXBRUKMWQGOIE,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,12.159305572509766 4864,1768,-1,,,,0.0,MS1_match,BKYWAYNSDFXIPL-LOSJGSFVSA-N,"InChI=1S/C25H24O11/c1-12(26)31-18-9-21(33-14(3)28)19-11-24(35-16(5)30)25(36-22(19)10-18)17-6-7-20(32-13(2)27)23(8-17)34-15(4)29/h6-10,24-25H,11H2,1-5H3/t24-,25+/m0/s1",CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@@H](OC(C)=O)C2,C25H24O11,pos_1_minus1proton1magnesium,500.1318615879998,BKYWAYNSDFXIPL,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 4865,1768,-1,,,,0.0,MS1_match,BKYWAYNSDFXIPL-LOSJGSFVSA-N,"InChI=1S/C25H24O11/c1-12(26)31-18-9-21(33-14(3)28)19-11-24(35-16(5)30)25(36-22(19)10-18)17-6-7-20(32-13(2)27)23(8-17)34-15(4)29/h6-10,24-25H,11H2,1-5H3/t24-,25+/m0/s1",CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@@H](OC(C)=O)C2,C25H24O11,pos_1_minus1proton1magnesium,500.1318615879998,BKYWAYNSDFXIPL,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 4866,1767,-1,,,,0.0,MS1_match,MRPJBTFHICBFNE-UHFFFAOYSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3",COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2=O,C16H14O7,pos_1_1proton1methanol,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,0,8.0 4867,1767,-1,,,,0.0,MS1_match,MRPJBTFHICBFNE-JKSUJKDBSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3/t15-,16+/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2=O,C16H14O7,pos_1_1proton1methanol,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 4868,1765,977,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1proton1ethylamine,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 4869,1765,977,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1proton1ethylamine,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 4870,1765,977,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1proton1ethylamine,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 4871,1765,977,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1proton1ethylamine,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 4872,1765,977,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1proton1ethylamine,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 4873,1765,977,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1proton1ethylamine,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 4874,1763,25,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,DJOWTWWHMWQATC-XWQDSZIKSA-N,"InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39+,40+/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1,C40H58O4,pos_2MCa,602.433510336,DJOWTWWHMWQATC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa villosa,1091505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa villosa'],6,3,7.5 4875,1763,25,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,DJOWTWWHMWQATC-XWQDSZIKSA-N,"InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39+,40+/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1,C40H58O4,pos_2MCa,602.433510336,DJOWTWWHMWQATC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa pomifera,1091505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa villosa'],6,3,7.5 4876,1762,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KWQIIMNNVXVFMQ-DCILAAIQSA-N,"InChI=1S/C30H38O17/c1-15(31)40-12-23-27(44-17(3)33)28(45-18(4)34)25(37)21(46-23)13-43-30(14-42-16(2)32)29(39)26(38)22(47-30)11-41-24(36)10-7-19-5-8-20(35)9-6-19/h5-10,21-23,25-29,35,37-39H,11-14H2,1-4H3/b10-7+/t21-,22-,23-,25+,26+,27-,28-,29-,30-/m1/s1",CC(=O)OC[C@H]1O[C@H](CO[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C30H38O17,pos_1_1proton1ammonium,670.2108997559999,KWQIIMNNVXVFMQ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4877,1761,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MRPJBTFHICBFNE-UHFFFAOYSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3",COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2=O,C16H14O7,pos_1_1proton1methanol,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,1,8.5 4878,1761,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MRPJBTFHICBFNE-JKSUJKDBSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3/t15-,16+/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2=O,C16H14O7,pos_1_1proton1methanol,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,1,8.5 4879,1760,-1,,,,0.0,MS1_match,KKLWTTVTWMTNBP-KYXYLJOWSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H22O10,pos_1_1sodium1acetonitrile,386.1212969039999,KKLWTTVTWMTNBP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 4880,1760,-1,,,,0.0,MS1_match,KKLWTTVTWMTNBP-KYXYLJOWSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H22O10,pos_1_1sodium1acetonitrile,386.1212969039999,KKLWTTVTWMTNBP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 4881,1758,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IKXFGEKULKZDCJ-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8(6)9(15)5-3-7(14)12(17)18-11(5)10(4)16/h3,14-16H,1-2H2",O=C1CCc2c1c(O)c1cc(O)c(=O)oc1c2O,C12H8O6,pos_1_1proton1isopropanol,248.032087976,IKXFGEKULKZDCJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,1,6.5 4882,1757,857,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,NQBMFFMRSAECDY-DDEFCHDZSA-N,"InChI=1S/C24H40O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13-22,25-31H,8-11H2,1-4H3/b6-5+/t13-,14-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H40O11,pos_1_1proton1ammonium,504.2570621,NQBMFFMRSAECDY,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 4883,1757,857,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,NQBMFFMRSAECDY-DDEFCHDZSA-N,"InChI=1S/C24H40O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13-22,25-31H,8-11H2,1-4H3/b6-5+/t13-,14-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H40O11,pos_1_1proton1ammonium,504.2570621,NQBMFFMRSAECDY,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 4884,1757,857,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,HEPRIYFSINSFQU-BVMAHHMQSA-N,"InChI=1S/C24H40O11/c1-11-7-13(8-24(3,4)14(11)6-5-12(2)25)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h13,15-23,26-31H,5-10H2,1-4H3/t13-,15-,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1",CC(=O)CCC1=C(C)C[C@@H](O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C24H40O11,pos_1_1proton1ammonium,504.2570621,HEPRIYFSINSFQU,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,7.5 4885,1753,-1,,,,0.0,MS1_match,KESZFNUQHQOKBT-RHYMDBNLSA-N,"InChI=1S/C26H32O12/c27-18-16(12-34-24(33)15-9-5-2-6-10-15)37-26(23(32)20(18)29)36-13-17-19(28)21(30)22(31)25(38-17)35-11-14-7-3-1-4-8-14/h1-10,16-23,25-32H,11-13H2/t16-,17-,18-,19-,20+,21+,22-,23-,25-,26-/m1/s1",O=C(OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1,C26H32O12,pos_1_1proton1ammonium,536.1893764639999,KESZFNUQHQOKBT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 4886,1752,-1,,,,0.0,MS1_match,DOUMFZQKYFQNTF-WUTVXBCWSA-N,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,C18H16O8,pos_1_1proton1methanol,360.0845174719999,DOUMFZQKYFQNTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 4887,1752,-1,,,,0.0,MS1_match,DOUMFZQKYFQNTF-WUTVXBCWSA-N,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,C18H16O8,pos_1_1proton1methanol,360.0845174719999,DOUMFZQKYFQNTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],7,0,7.0 4888,1752,-1,,,,0.0,MS1_match,DOUMFZQKYFQNTF-WUTVXBCWSA-N,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,C18H16O8,pos_1_1proton1methanol,360.0845174719999,DOUMFZQKYFQNTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 4889,1752,-1,,,,0.0,MS1_match,DOUMFZQKYFQNTF-WUTVXBCWSA-N,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,C18H16O8,pos_1_1proton1methanol,360.0845174719999,DOUMFZQKYFQNTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],7,0,7.0 4890,1752,-1,,,,0.0,MS1_match,XRHHDQSPFPQKMS-UHFFFAOYSA-N,"InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)11-7-10(20)13-14(21)17(24-2)15(22)18(25-3)16(13)26-11/h4-7,19,21-22H,1-3H3",COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)ccc1O,C18H16O8,pos_1_1proton1methanol,360.0845174719999,XRHHDQSPFPQKMS,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Sorbus pallescens,3903574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus pallescens'],7,0,7.0 4891,1752,-1,,,,0.0,MS1_match,FTFZXPBVBBJTHV-OGJJZOIMSA-N,"InChI=1S/C19H20O9/c20-11-3-1-10(2-4-11)18(25)26-9-14-15(22)16(23)17(24)19(28-14)27-13-7-5-12(21)6-8-13/h1-8,14-17,19-24H,9H2/t14-,15-,16+,17-,19-/m1/s1",O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)cc1,C19H20O9,pos_1_1proton,392.11073222,FTFZXPBVBBJTHV,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],7,0,7.0 4892,1751,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.0,MS1_match,JAZBEHYOTPTENJ-UHFFFAOYSA-N,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O,C20H30O2,pos_1_1proton1methanol,302.2245802,JAZBEHYOTPTENJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,3,8.5 4893,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 4894,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 4895,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 4896,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 4897,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,3,7.5 4898,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 4899,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],6,3,7.5 4900,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 4901,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],6,3,7.5 4902,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],6,3,7.5 4903,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 4904,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 4905,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 4906,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 4907,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,3,7.5 4908,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 4909,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],6,3,7.5 4910,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 4911,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],6,3,7.5 4912,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],6,3,7.5 4913,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HIWPGCMGAMJNRG-CQHUIXDMSA-N,"InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton,342.116211524,HIWPGCMGAMJNRG,Carbohydrates,Saccharides,Disaccharides,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,3,7.5 4914,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HIWPGCMGAMJNRG-CQHUIXDMSA-N,"InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton,342.116211524,HIWPGCMGAMJNRG,Carbohydrates,Saccharides,Disaccharides,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,3,7.5 4915,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-ASMJPISFSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 4916,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-WFVLMXAXSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,C12H22O11,pos_1_1proton,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 4917,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-ASMJPISFSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 4918,1749,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-WFVLMXAXSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,C12H22O11,pos_1_1proton,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 4919,1747,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IKXFGEKULKZDCJ-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8(6)9(15)5-3-7(14)12(17)18-11(5)10(4)16/h3,14-16H,1-2H2",O=C1CCc2c1c(O)c1cc(O)c(=O)oc1c2O,C12H8O6,pos_1_1proton1isopropanol,248.032087976,IKXFGEKULKZDCJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,1,6.5 4920,1746,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IKXFGEKULKZDCJ-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8(6)9(15)5-3-7(14)12(17)18-11(5)10(4)16/h3,14-16H,1-2H2",O=C1CCc2c1c(O)c1cc(O)c(=O)oc1c2O,C12H8O6,pos_1_1proton1isopropanol,248.032087976,IKXFGEKULKZDCJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,1,6.5 4921,1744,436,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,pos_1_1proton,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 4922,1743,-1,,,,0.0,MS1_match,LGQLHZODXDTPIE-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(32)39-12-21-24(40-15(2)33)25(41-16(3)34)26(42-17(4)35)28(43-21)46-29(13-31)27(23(38)20(11-30)45-29)44-22(37)10-7-18-5-8-19(36)9-6-18/h5-10,20-21,23-28,30-31,36,38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,LGQLHZODXDTPIE,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 4923,1743,-1,,,,0.0,MS1_match,VQQQOHZYZBIHTQ-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-23(37)25(41-16(3)33)26(42-17(4)34)28(43-21)46-29(13-40-15(2)32)27(24(38)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,VQQQOHZYZBIHTQ,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 4924,1743,-1,,,,0.0,MS1_match,UULRBMDSYFJFGT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,UULRBMDSYFJFGT,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 4925,1740,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.26439616,ISDB,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,9.557584643363953 4926,1740,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.26439616,ISDB,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,9.557584643363953 4927,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 4928,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 4929,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 4930,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 4931,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,3,7.5 4932,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 4933,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],6,3,7.5 4934,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 4935,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],6,3,7.5 4936,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],6,3,7.5 4937,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 4938,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 4939,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 4940,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 4941,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,3,7.5 4942,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 4943,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],6,3,7.5 4944,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 4945,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],6,3,7.5 4946,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],6,3,7.5 4947,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HIWPGCMGAMJNRG-CQHUIXDMSA-N,"InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton,342.116211524,HIWPGCMGAMJNRG,Carbohydrates,Saccharides,Disaccharides,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,3,7.5 4948,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HIWPGCMGAMJNRG-CQHUIXDMSA-N,"InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton,342.116211524,HIWPGCMGAMJNRG,Carbohydrates,Saccharides,Disaccharides,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,3,7.5 4949,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-ASMJPISFSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 4950,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-WFVLMXAXSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,C12H22O11,pos_1_1proton,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 4951,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-ASMJPISFSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 4952,1739,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-WFVLMXAXSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,C12H22O11,pos_1_1proton,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 4953,1738,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,MHXCIKYXNYCMHY-AUSJPIAWSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H24O6,pos_1_1proton,360.157288488,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,2,9.0 4954,1738,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,MHXCIKYXNYCMHY-AUSJPIAWSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H24O6,pos_1_1proton,360.157288488,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,2,9.0 4955,1738,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,MHXCIKYXNYCMHY-AUSJPIAWSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H24O6,pos_1_1proton,360.157288488,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,2,9.0 4956,1738,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,MHXCIKYXNYCMHY-AUSJPIAWSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H24O6,pos_1_1proton,360.157288488,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,2,9.0 4957,1738,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,MHXCIKYXNYCMHY-AUSJPIAWSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H24O6,pos_1_1proton,360.157288488,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,2,9.0 4958,1738,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,MHXCIKYXNYCMHY-AUSJPIAWSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H24O6,pos_1_1proton,360.157288488,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,2,9.0 4959,1738,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,MHXCIKYXNYCMHY-AUSJPIAWSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H24O6,pos_1_1proton,360.157288488,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,2,9.0 4960,1738,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,MHXCIKYXNYCMHY-AUSJPIAWSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H24O6,pos_1_1proton,360.157288488,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,2,9.0 4961,1736,25,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,YQZCWVJLTIJRST-IISUXQLESA-N,"InChI=1S/C29H32O15/c1-10-21(36)22(37)23(38)29(40-10)44-25-18(9-30)43-27(28(24(25)39)41-11(2)31)20-15(34)7-14(33)19-16(35)8-17(42-26(19)20)12-3-5-13(32)6-4-12/h3-8,10,18,21-25,27-30,32-34,36-39H,9H2,1-2H3/t10-,18+,21-,22+,23-,24-,25+,27-,28+,29-/m0/s1",CC(=O)O[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12,C29H32O15,pos_1_1proton,620.174120324,YQZCWVJLTIJRST,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 4962,1736,25,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,HMBGJEJYEHGZIP-UHFFFAOYSA-N,"InChI=1S/C29H32O15/c1-10-21(35)22(36)25(39)29(41-10)44-26-18(9-40-11(2)30)43-28(24(38)23(26)37)20-15(33)7-14(32)19-16(34)8-17(42-27(19)20)12-3-5-13(31)6-4-12/h3-8,10,18,21-26,28-29,31-33,35-39H,9H2,1-2H3",CC(=O)OCC1OC(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O,C29H32O15,pos_1_1proton,620.174120324,HMBGJEJYEHGZIP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],7,0,7.0 4963,1736,25,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,HMBGJEJYEHGZIP-UHFFFAOYSA-N,"InChI=1S/C29H32O15/c1-10-21(35)22(36)25(39)29(41-10)44-26-18(9-40-11(2)30)43-28(24(38)23(26)37)20-15(33)7-14(32)19-16(34)8-17(42-27(19)20)12-3-5-13(31)6-4-12/h3-8,10,18,21-26,28-29,31-33,35-39H,9H2,1-2H3",CC(=O)OCC1OC(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O,C29H32O15,pos_1_1proton,620.174120324,HMBGJEJYEHGZIP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 4964,1736,25,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,HMBGJEJYEHGZIP-UHFFFAOYSA-N,"InChI=1S/C29H32O15/c1-10-21(35)22(36)25(39)29(41-10)44-26-18(9-40-11(2)30)43-28(24(38)23(26)37)20-15(33)7-14(32)19-16(34)8-17(42-27(19)20)12-3-5-13(31)6-4-12/h3-8,10,18,21-26,28-29,31-33,35-39H,9H2,1-2H3",CC(=O)OCC1OC(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O,C29H32O15,pos_1_1proton,620.174120324,HMBGJEJYEHGZIP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Crataegus curvisepala,547113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus curvisepala'],7,0,7.0 4965,1735,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_2MH,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 4966,1734,646,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,BEEJZTKKIGKODU-NQLGLYBNSA-N,"InChI=1S/C54H88O25/c1-21-29(58)32(61)38(67)46(73-21)78-40-34(63)31(60)25(18-56)75-47(40)79-41-36(65)35(64)39(44(70)71)77-48(41)76-28-11-12-51(4)26(52(28,5)19-57)10-13-54(7)27(51)9-8-22-23-16-49(2,42(68)43(69)50(23,3)14-15-53(22,54)6)20-72-45-37(66)33(62)30(59)24(17-55)74-45/h8,21,23-43,45-48,55-69H,9-20H2,1-7H3,(H,70,71)/t21-,23-,24+,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36-,37+,38+,39-,40+,41+,42-,43+,45+,46-,47-,48+,49-,50+,51-,52+,53+,54+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5CC=C5[C@@H]7C[C@@](C)(CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@@H](O)[C@]7(C)CC[C@]56C)[C@@]4(C)CO)O[C@H](C(=O)O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C54H88O25,pos_2_1proton1potassium,1136.5614683160002,BEEJZTKKIGKODU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,3,7.5 4967,1734,646,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,BEEJZTKKIGKODU-NQLGLYBNSA-N,"InChI=1S/C54H88O25/c1-21-29(58)32(61)38(67)46(73-21)78-40-34(63)31(60)25(18-56)75-47(40)79-41-36(65)35(64)39(44(70)71)77-48(41)76-28-11-12-51(4)26(52(28,5)19-57)10-13-54(7)27(51)9-8-22-23-16-49(2,42(68)43(69)50(23,3)14-15-53(22,54)6)20-72-45-37(66)33(62)30(59)24(17-55)74-45/h8,21,23-43,45-48,55-69H,9-20H2,1-7H3,(H,70,71)/t21-,23-,24+,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36-,37+,38+,39-,40+,41+,42-,43+,45+,46-,47-,48+,49-,50+,51-,52+,53+,54+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5CC=C5[C@@H]7C[C@@](C)(CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@@H](O)[C@]7(C)CC[C@]56C)[C@@]4(C)CO)O[C@H](C(=O)O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C54H88O25,pos_2_1proton1potassium,1136.5614683160002,BEEJZTKKIGKODU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,3,7.5 4968,1731,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 4969,1731,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,0,6.0 4970,1731,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 4971,1731,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 4972,1731,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,0,6.0 4973,1731,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 4974,1731,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 4975,1731,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 4976,1731,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 4977,1731,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,0,6.0 4978,1731,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,0,6.0 4979,1731,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 4980,1731,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 4981,1731,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,0,6.0 4982,1731,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 4983,1731,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 4984,1731,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 4985,1731,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 4986,1731,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 4987,1731,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 4988,1731,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,0,6.0 4989,1731,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 4990,1730,-1,,,,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 4991,1729,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.2337058,ISDB,XJHMLSKQZFKMLL-QNDFHXLGSA-N,"InChI=1S/C21H24O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-10-6-14(26)17(15(27)7-10)12(24)4-2-9-1-3-11(23)13(25)5-9/h1,3,5-7,16,18-23,25-30H,2,4,8H2/t16-,18-,19+,20-,21-/m1/s1",O=C(CCc1ccc(O)c(O)c1)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C21H24O11,,452.131861588,XJHMLSKQZFKMLL,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus floribunda,299307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus floribunda'],9,2,10.934823215007782 4992,1728,-1,,,,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1potassium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 4993,1728,-1,,,,0.0,MS1_match,IIRLJBYCOBQSFR-OPKVVABASA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)11-8-20-6-9-21(37)10-7-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1potassium,698.205814376,IIRLJBYCOBQSFR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 4994,1728,-1,,,,0.0,MS1_match,XEULPBRTZLSETH-OZNBHJLGSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)27(44-18(4)35)28(45-19(5)36)30(46-22)49-31(14-43-17(3)34)29(26(40)23(48-31)13-42-16(2)33)47-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1potassium,698.205814376,XEULPBRTZLSETH,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 4995,1728,-1,,,,0.0,MS1_match,YTERZBXYMRSCJV-WWXINNHQSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)10-9-20-7-6-8-21(37)11-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b10-9-/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C31H38O18,pos_1_1potassium,698.205814376,YTERZBXYMRSCJV,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 4996,1721,217,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,BJEPYKJPYRNKOW-REOHCLBHSA-N,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1",O=C(O)C[C@H](O)C(=O)O,C4H6O5,pos_1_1proton1ethylamine,134.021523292,BJEPYKJPYRNKOW,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 4997,1721,217,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,BJEPYKJPYRNKOW-UHFFFAOYSA-N,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)",O=C(O)CC(O)C(=O)O,C4H6O5,pos_1_1proton1ethylamine,134.021523292,BJEPYKJPYRNKOW,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 4998,1720,-1,,,,0.0,MS1_match,RPLIDLJMEABHAT-OLQSOZGJSA-N,"InChI=1S/C22H36O5/c1-14(24)27-13-20(3)16-6-9-21-10-15(22(26,11-21)12-23)4-5-17(21)19(16,2)8-7-18(20)25/h15-18,23,25-26H,4-13H2,1-3H3/t15-,16+,17+,18+,19-,20+,21+,22+/m1/s1",CC(=O)OC[C@@]1(C)[C@H]2CC[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CC[C@@H]1O)[C@@](O)(CO)C4,C22H36O5,pos_2MFe,380.256274252,RPLIDLJMEABHAT,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,0,6.0 4999,1719,5,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1ethylamine,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5000,1719,5,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1ethylamine,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5001,1718,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1proton1ethylamine,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 5002,1717,-1,,,,0.3441335,ISDB,VNLOLXSJMINBIS-UHFFFAOYSA-N,"InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(48-10)47-9-17-21(40)25(44)30(53-32-27(46)24(43)20(39)16(8-34)50-32)33(51-17)52-29-22(41)18-14(37)6-13(36)7-15(18)49-28(29)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C33H40O20,,756.21129368,VNLOLXSJMINBIS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,9.37653398513794 5003,1716,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_1_1proton1ethylamine,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 5004,1716,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_1_1proton1ethylamine,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5005,1716,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_1_1proton1ethylamine,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 5006,1716,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_1_1proton1ethylamine,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 5007,1716,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_1_1proton1ethylamine,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 5008,1716,-1,,,,0.0,MS1_match,QECVMHWTNYFUKU-FMUGBDLASA-N,"InChI=1S/C15H22O6/c1-9(6-11(17)18)4-5-15(20)13(2)8-21-14(15,3)7-10(16)12(13)19/h4-6,10,12,16,19-20H,7-8H2,1-3H3,(H,17,18)/b5-4+,9-6-/t10-,12+,13-,14+,15+/m1/s1",CC(=C/C(=O)O)/C=C/[C@@]1(O)[C@]2(C)C[C@@H](O)[C@H](O)[C@@]1(C)CO2,C15H22O6,pos_1_1proton1ammonium,298.141638424,QECVMHWTNYFUKU,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 5009,1714,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MNa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5010,1713,-1,,,,0.0,MS1_match,PPBRXRYQALVLMV-UHFFFAOYSA-N,"InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2",C=Cc1ccccc1,C8H8,pos_1_1proton1ammonium,104.062600256,PPBRXRYQALVLMV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 5011,1712,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5012,1712,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5013,1712,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5014,1712,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5015,1711,-1,,,,0.0,MS1_match,AUKMHZZVLPQAOX-CDNFTCFOSA-N,"InChI=1S/C20H26O7/c1-10-8-18-9-19(10,27)7-4-11(18)20(16(25)26)6-3-5-17(2,15(23)24)13(20)12(18)14(21)22/h11-13,27H,1,3-9H2,2H3,(H,21,22)(H,23,24)(H,25,26)/t11-,12-,13-,17-,18+,19+,20-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O7,pos_1_1proton1ethylamine,378.1678531719999,AUKMHZZVLPQAOX,Terpenoids,Diterpenoids,Gibberellins,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 5016,1711,-1,,,,0.0,MS1_match,AUKMHZZVLPQAOX-CDNFTCFOSA-N,"InChI=1S/C20H26O7/c1-10-8-18-9-19(10,27)7-4-11(18)20(16(25)26)6-3-5-17(2,15(23)24)13(20)12(18)14(21)22/h11-13,27H,1,3-9H2,2H3,(H,21,22)(H,23,24)(H,25,26)/t11-,12-,13-,17-,18+,19+,20-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O7,pos_1_1proton1ethylamine,378.1678531719999,AUKMHZZVLPQAOX,Terpenoids,Diterpenoids,Gibberellins,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 5017,1710,670,Shikimates and Phenylpropanoids,,,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1proton1ethylamine,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,1,6.5 5018,1710,670,Shikimates and Phenylpropanoids,,,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1proton1ethylamine,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,1,6.5 5019,1707,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 5020,1707,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 5021,1707,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 5022,1707,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5023,1707,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5024,1707,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5025,1707,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5026,1707,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5027,1707,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 5028,1706,-1,,,,0.0,MS1_match,ZPPQIOUITZSYAO-AOBOYTTNSA-N,"InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1",[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H28O15,pos_1_1proton,580.142820196,ZPPQIOUITZSYAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,0,7.0 5029,1706,-1,,,,0.0,MS1_match,ZPPQIOUITZSYAO-AOBOYTTNSA-O,"InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C26H29O15+,pos_1_1proton,581.1500966480899,ZPPQIOUITZSYAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 5030,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5031,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-AWQAGIFSSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18-,19+,20-/m0/s1",N#C[C@H](O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.158410684,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus ilicifolia,738708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ilicifolia'],8,3,9.5 5032,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-VEXRWARGSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?/m0/s1",N#C[C@H](OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839999,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 5033,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-VEXRWARGSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?/m0/s1",N#C[C@H](OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839999,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 5034,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus salicina,190311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus salicina'],8,3,9.5 5035,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5036,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-AWQAGIFSSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18-,19+,20-/m0/s1",N#C[C@H](O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.158410684,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus virginiana,769156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus virginiana'],8,3,9.5 5037,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-AWQAGIFSSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18-,19+,20-/m0/s1",N#C[C@H](O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.158410684,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus ilicifolia,738708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ilicifolia'],8,3,9.5 5038,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-UUGBRMIUSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.158410684,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 5039,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5040,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 5041,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5042,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-UUGBRMIUSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.158410684,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5043,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5044,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,3,9.5 5045,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-UHFFFAOYSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2",N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839999,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus dulcis var. amara,731585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 5046,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-UHFFFAOYSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2",N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839999,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus mandshurica,692781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mandshurica'],8,3,9.5 5047,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-UHFFFAOYSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2",N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839999,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus sibirica,296729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus sibirica'],8,3,9.5 5048,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-UHFFFAOYSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2",N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839999,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 5049,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-VEXRWARGSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?/m0/s1",N#C[C@H](OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839999,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 5050,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-VEXRWARGSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?/m0/s1",N#C[C@H](OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839999,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 5051,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus salicina,190311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus salicina'],8,3,9.5 5052,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5053,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-AWQAGIFSSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18-,19+,20-/m0/s1",N#C[C@H](O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.158410684,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus virginiana,769156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus virginiana'],8,3,9.5 5054,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-UHFFFAOYSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2",N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839999,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus sibirica,296729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus sibirica'],8,3,9.5 5055,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-UHFFFAOYSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2",N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839999,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus mandshurica,692781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mandshurica'],8,3,9.5 5056,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-UHFFFAOYSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2",N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839999,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 5057,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,3,9.5 5058,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 5059,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5060,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-UUGBRMIUSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.158410684,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5061,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5062,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,3,9.5 5063,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-UHFFFAOYSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2",N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839999,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus dulcis var. amara,731585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 5064,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-UHFFFAOYSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2",N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839999,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus mandshurica,692781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mandshurica'],8,3,9.5 5065,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-UHFFFAOYSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2",N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839999,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus sibirica,296729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus sibirica'],8,3,9.5 5066,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-UHFFFAOYSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2",N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839999,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 5067,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-VEXRWARGSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?/m0/s1",N#C[C@H](OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839999,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 5068,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-VEXRWARGSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?/m0/s1",N#C[C@H](OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839999,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 5069,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-UHFFFAOYSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2",N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839999,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus dulcis var. amara,731585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 5070,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus salicina,190311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus salicina'],8,3,9.5 5071,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-AWQAGIFSSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18-,19+,20-/m0/s1",N#C[C@H](O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.158410684,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus virginiana,769156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus virginiana'],8,3,9.5 5072,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-AWQAGIFSSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18-,19+,20-/m0/s1",N#C[C@H](O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.158410684,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus ilicifolia,738708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ilicifolia'],8,3,9.5 5073,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-UUGBRMIUSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.158410684,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 5074,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5075,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 5076,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5077,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-UUGBRMIUSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.158410684,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5078,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5079,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5080,1705,642,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,XUCIJNAGGSZNQT-UUGBRMIUSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_2MFe,457.158410684,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 5081,1704,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5082,1704,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 5083,1704,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5084,1704,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 5085,1704,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 5086,1700,-1,,,,0.63420546,ISDB,ACJZLOBTPAETBY-LJIYXCCWSA-N,"InChI=1S/C32H38O18/c1-11-19(36)21(38)23(40)29(45-11)47-15-7-16(35)18-17(8-15)48-26(13-3-5-14(34)6-4-13)27(20(18)37)50-30-24(41)22(39)25(12(2)46-30)49-31-28(42)32(43,9-33)10-44-31/h3-8,11-12,19,21-25,28-31,33-36,38-43H,9-10H2,1-2H3/t11-,12-,19-,21+,22-,23+,24+,25-,28-,29-,30-,31-,32+/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C32H38O18,,710.205814376,ACJZLOBTPAETBY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Chenopodiastrum murale,387502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Atripliceae'],['Chenopodiastrum'],['Chenopodiastrum murale'],4,0,6.5368218421936035 5087,1700,-1,,,,0.63420546,ISDB,ACJZLOBTPAETBY-LJIYXCCWSA-N,"InChI=1S/C32H38O18/c1-11-19(36)21(38)23(40)29(45-11)47-15-7-16(35)18-17(8-15)48-26(13-3-5-14(34)6-4-13)27(20(18)37)50-30-24(41)22(39)25(12(2)46-30)49-31-28(42)32(43,9-33)10-44-31/h3-8,11-12,19,21-25,28-31,33-36,38-43H,9-10H2,1-2H3/t11-,12-,19-,21+,22-,23+,24+,25-,28-,29-,30-,31-,32+/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C32H38O18,,710.205814376,ACJZLOBTPAETBY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum osmophloeum,582938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum osmophloeum'],4,0,6.5368218421936035 5088,1700,-1,,,,0.63420546,ISDB,ACJZLOBTPAETBY-LJIYXCCWSA-N,"InChI=1S/C32H38O18/c1-11-19(36)21(38)23(40)29(45-11)47-15-7-16(35)18-17(8-15)48-26(13-3-5-14(34)6-4-13)27(20(18)37)50-30-24(41)22(39)25(12(2)46-30)49-31-28(42)32(43,9-33)10-44-31/h3-8,11-12,19,21-25,28-31,33-36,38-43H,9-10H2,1-2H3/t11-,12-,19-,21+,22-,23+,24+,25-,28-,29-,30-,31-,32+/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C32H38O18,,710.205814376,ACJZLOBTPAETBY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Chenopodium album,892395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Atripliceae'],['Chenopodium'],['Chenopodium album'],4,0,6.5368218421936035 5089,1700,-1,,,,0.63420546,ISDB,ACJZLOBTPAETBY-LJIYXCCWSA-N,"InChI=1S/C32H38O18/c1-11-19(36)21(38)23(40)29(45-11)47-15-7-16(35)18-17(8-15)48-26(13-3-5-14(34)6-4-13)27(20(18)37)50-30-24(41)22(39)25(12(2)46-30)49-31-28(42)32(43,9-33)10-44-31/h3-8,11-12,19,21-25,28-31,33-36,38-43H,9-10H2,1-2H3/t11-,12-,19-,21+,22-,23+,24+,25-,28-,29-,30-,31-,32+/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C32H38O18,,710.205814376,ACJZLOBTPAETBY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Chenopodium murale,387502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Atripliceae'],['Chenopodiastrum'],['Chenopodiastrum murale'],4,0,6.5368218421936035 5090,1699,-1,,,,0.0,MS1_match,VTKHRLZMWODHJA-GAZXPUAESA-N,"InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)29)24-16(12-35-26-23(32)22(31)21(30)20(11-28)36-26)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,20-,21-,22+,23-,24+,26-/m1/s1",COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H34O11,pos_1_1proton1ethylamine,522.210111908,VTKHRLZMWODHJA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 5091,1699,-1,,,,0.0,MS1_match,VTKHRLZMWODHJA-GAZXPUAESA-N,"InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)29)24-16(12-35-26-23(32)22(31)21(30)20(11-28)36-26)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,20-,21-,22+,23-,24+,26-/m1/s1",COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H34O11,pos_1_1proton1ethylamine,522.210111908,VTKHRLZMWODHJA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 5092,1697,-1,,,,0.49630985,ISDB,NLJNYZLJCNVCNR-XJHXNNCMSA-N,"InChI=1S/C33H40O18/c1-10-19(36)22(39)25(42)31(45-10)48-15-8-16(35)18-17(9-15)49-29(13-4-6-14(34)7-5-13)30(21(18)38)51-33-27(44)24(41)28(12(3)47-33)50-32-26(43)23(40)20(37)11(2)46-32/h4-12,19-20,22-28,31-37,39-44H,1-3H3/t10-,11-,12-,19-,20-,22+,23+,24-,25+,26+,27+,28-,31-,32-,33-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C33H40O18,,724.22146444,NLJNYZLJCNVCNR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cassinopsis madagascariensis,717828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Icacinales'],['Icacinaceae'],['Unknown'],['Cassinopsis'],['Cassinopsis madagascariensis'],4,0,5.985239386558533 5093,1696,-1,,,,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1sodium,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 5094,1696,-1,,,,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1sodium,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 5095,1695,124,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.38178012,ISDB,HBZNVZIRJWODIB-NHCUFCNUSA-N,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN,C39H74NO8P,,715.515204958,HBZNVZIRJWODIB,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,7.027120471000671 5096,1695,124,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.38178012,ISDB,HBZNVZIRJWODIB-NHCUFCNUSA-N,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN,C39H74NO8P,,715.515204958,HBZNVZIRJWODIB,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Lycoris incarnata,992964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Lycoris'],['Lycoris incarnata'],4,3,7.027120471000671 5097,1694,-1,,,,0.0,MS1_match,IHWHGPUDYPIVLL-BFMJJVGDSA-N,"InChI=1S/C20H28O13/c21-6-9-11(22)13(24)15(26)19(31-9)30-7-10-12(23)14(25)16(27)20(32-10)33-17(18(28)29)8-4-2-1-3-5-8/h1-5,9-17,19-27H,6-7H2,(H,28,29)/t9-,10-,11-,12-,13+,14+,15-,16-,17-,19-,20+/m1/s1",O=C(O)[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H28O13,pos_1_1sodium,476.152990956,IHWHGPUDYPIVLL,,,,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5098,1694,-1,,,,0.0,MS1_match,IHWHGPUDYPIVLL-BFMJJVGDSA-N,"InChI=1S/C20H28O13/c21-6-9-11(22)13(24)15(26)19(31-9)30-7-10-12(23)14(25)16(27)20(32-10)33-17(18(28)29)8-4-2-1-3-5-8/h1-5,9-17,19-27H,6-7H2,(H,28,29)/t9-,10-,11-,12-,13+,14+,15-,16-,17-,19-,20+/m1/s1",O=C(O)[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H28O13,pos_1_1sodium,476.152990956,IHWHGPUDYPIVLL,,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5099,1693,-1,,,,0.46492916,ISDB,CUZKLRTTYZOCSD-CIUDSAMLSA-N,"InChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1",O=C(O)[C@H](CCN1CC[C@H]1C(=O)O)NCC[C@H](O)C(=O)O,C12H20N2O7,,304.12705098,CUZKLRTTYZOCSD,Amino acids and Peptides,Small peptides,Aminoacids,Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],4,0,5.8597166538238525 5100,1693,-1,,,,0.46492916,ISDB,CUZKLRTTYZOCSD-CIUDSAMLSA-N,"InChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1",O=C(O)[C@H](CCN1CC[C@H]1C(=O)O)NCC[C@H](O)C(=O)O,C12H20N2O7,,304.12705098,CUZKLRTTYZOCSD,Amino acids and Peptides,Small peptides,Aminoacids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],4,0,5.8597166538238525 5101,1693,-1,,,,0.46492916,ISDB,CUZKLRTTYZOCSD-CIUDSAMLSA-N,"InChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1",O=C(O)[C@H](CCN1CC[C@H]1C(=O)O)NCC[C@H](O)C(=O)O,C12H20N2O7,,304.12705098,CUZKLRTTYZOCSD,Amino acids and Peptides,Small peptides,Aminoacids,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],4,0,5.8597166538238525 5102,1691,-1,,,,0.0,MS1_match,KLDQRYHKZZCLKR-SSLCBRODSA-N,"InChI=1S/C15H18O10/c16-8-3-1-7(5-9(8)17)2-4-11(18)25-23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OOC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O10,pos_1_1proton1ethylamine,358.089996776,KLDQRYHKZZCLKR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 5103,1690,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5104,1690,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 5105,1690,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 5106,1690,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5107,1690,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5108,1690,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 5109,1690,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 5110,1690,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus ulmifolia,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,3,9.5 5111,1690,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus triloba,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,3,9.5 5112,1690,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton1ammonium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],8,3,9.5 5113,1689,-1,,,,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5114,1688,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_2MHNH3,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5115,1688,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_2MHNH3,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5116,1687,-1,,,,0.0,MS1_match,ZSWXIMXLLJRVFT-UHFFFAOYSA-O,"InChI=1S/C32H38O19/c1-10-21(38)24(41)27(44)30(47-10)46-9-20-23(40)25(42)29(51-31-26(43)22(39)17(37)8-45-31)32(50-20)49-19-7-13-15(35)5-12(33)6-18(13)48-28(19)11-2-3-14(34)16(36)4-11/h2-7,10,17,20-27,29-32,37-44H,8-9H2,1H3,(H3-,33,34,35,36)/p+1",CC1OC(OCC2OC(Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C32H39O19+,pos_2MCa,727.20800544809,ZSWXIMXLLJRVFT,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,0,7.0 5117,1685,858,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,WSHSQJSPOLYHLM-YMILTQATSA-N,"InChI=1S/C16H20O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h4-5,11,13-17,19-21H,2-3,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2c(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CC2,C16H20O9,pos_1_1sodium1acetonitrile,356.1107322199999,WSHSQJSPOLYHLM,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5118,1684,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 5119,1684,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5120,1684,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 5121,1684,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-WVXKDWSHSA-O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O,C21H21O11+,pos_1_1sodium,449.10783791208985,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 5122,1684,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5123,1684,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5124,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5125,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5126,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5127,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5128,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5129,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5130,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5131,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5132,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5133,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5134,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5135,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5136,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5137,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5138,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5139,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5140,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5141,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5142,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5143,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5144,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5145,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5146,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5147,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5148,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5149,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SMFKCIHIAHWGGL-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)C1,C17H20O9,pos_1_1proton1ammonium,368.11073221999993,SMFKCIHIAHWGGL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5150,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5151,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5152,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5153,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5154,1682,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SMFKCIHIAHWGGL-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)C1,C17H20O9,pos_1_1proton1ammonium,368.11073221999993,SMFKCIHIAHWGGL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5155,1681,367,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.0,MS1_match,JFJWMFPFMLRLMI-UHFFFAOYSA-N,"InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)",O=C1CC(C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21,C13H8O8,pos_1_1proton1isopropanol,292.021917216,JFJWMFPFMLRLMI,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Potentilla wallichiana,759832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla atrosanguinea'],6,3,7.5 5156,1680,-1,,,,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ethylamine,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 5157,1680,-1,,,,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ethylamine,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5158,1680,-1,,,,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ethylamine,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5159,1680,-1,,,,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1ammonium,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 5160,1680,-1,,,,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1ammonium,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 5161,1680,-1,,,,0.0,MS1_match,YFHPZWBRSMIKOC-SWUWCAIHSA-N,"InChI=1S/C40H56O8/c1-23-14-17-40(35(45)46)19-18-38(5)26(33(40)24(23)2)10-12-31-36(3)21-28(42)34(44)37(4,30(36)15-16-39(31,38)6)22-48-32(43)13-9-25-8-11-27(41)29(20-25)47-7/h8-11,13,20,23-24,28,30-31,33-34,41-42,44H,12,14-19,21-22H2,1-7H3,(H,45,46)/b13-9+/t23-,24+,28-,30-,31-,33+,34-,36+,37-,38-,39-,40+/m1/s1",COc1cc(/C=C/C(=O)OC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5[C@@H]6[C@@H](C)[C@H](C)CC[C@]6(C(=O)O)CC[C@]54C)[C@@]3(C)C[C@@H](O)[C@H]2O)ccc1O,C40H56O8,pos_2_1iron,664.3975187519999,YFHPZWBRSMIKOC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 5162,1680,-1,,,,0.0,MS1_match,YFHPZWBRSMIKOC-SWUWCAIHSA-N,"InChI=1S/C40H56O8/c1-23-14-17-40(35(45)46)19-18-38(5)26(33(40)24(23)2)10-12-31-36(3)21-28(42)34(44)37(4,30(36)15-16-39(31,38)6)22-48-32(43)13-9-25-8-11-27(41)29(20-25)47-7/h8-11,13,20,23-24,28,30-31,33-34,41-42,44H,12,14-19,21-22H2,1-7H3,(H,45,46)/b13-9+/t23-,24+,28-,30-,31-,33+,34-,36+,37-,38-,39-,40+/m1/s1",COc1cc(/C=C/C(=O)OC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5[C@@H]6[C@@H](C)[C@H](C)CC[C@]6(C(=O)O)CC[C@]54C)[C@@]3(C)C[C@@H](O)[C@H]2O)ccc1O,C40H56O8,pos_2_1iron,664.3975187519999,YFHPZWBRSMIKOC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 5163,1679,-1,,,,0.0,MS1_match,SBKHBPAOTDHFBN-UHFFFAOYSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)",CC(=O)OCC1=C2C(OC3OC(CO)C(O)C(O)C3O)OC=C(C(=O)O)C2CC1,C18H24O11,pos_1_1proton1ammonium,416.131861588,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,0,6.0 5164,1679,-1,,,,0.0,MS1_match,SBKHBPAOTDHFBN-MXGUJTDSSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)/t9-,11-,13-,14+,15-,17+,18+/m1/s1",CC(=O)OCC1=C2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2CC1,C18H24O11,pos_1_1proton1ammonium,416.1318615879998,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 5165,1679,-1,,,,0.0,MS1_match,SBKHBPAOTDHFBN-UHFFFAOYSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)",CC(=O)OCC1=C2C(OC3OC(CO)C(O)C(O)C3O)OC=C(C(=O)O)C2CC1,C18H24O11,pos_1_1proton1ammonium,416.131861588,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,0,6.0 5166,1679,-1,,,,0.0,MS1_match,SBKHBPAOTDHFBN-MXGUJTDSSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)/t9-,11-,13-,14+,15-,17+,18+/m1/s1",CC(=O)OCC1=C2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2CC1,C18H24O11,pos_1_1proton1ammonium,416.1318615879998,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 5167,1673,-1,,,,0.0,MS1_match,HBOMRMZGLXFXCE-UIJYHZMPSA-N,"InChI=1S/C25H26O14/c1-8(26)20-16(30)18(32)24(37-20)35-11-6-12(28)14-13(7-11)36-21(9-2-4-10(27)5-3-9)22(15(14)29)38-25-19(33)17(31)23(34)39-25/h2-8,16-20,23-28,30-34H,1H3/t8-,16+,17-,18-,19-,20-,23+,24-,25-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O[C@H]4O[C@@H](O)[C@@H](O)[C@@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C25H26O14,pos_1_1proton,550.132255512,HBOMRMZGLXFXCE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 5168,1671,279,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,STTPJOGYSWZEII-LGJFGNOYSA-N,"InChI=1S/C20H30O11/c1-9-13(22)15(24)17(26)19(30-9)29-8-12-14(23)16(25)18(27)20(31-12)28-7-11(21)10-5-3-2-4-6-10/h2-6,9,11-27H,7-8H2,1H3/t9-,11-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OC[C@H](O)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C20H30O11,pos_1_1proton1ethylamine,446.17881177999976,STTPJOGYSWZEII,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,3,7.5 5169,1671,279,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,STTPJOGYSWZEII-LGJFGNOYSA-N,"InChI=1S/C20H30O11/c1-9-13(22)15(24)17(26)19(30-9)29-8-12-14(23)16(25)18(27)20(31-12)28-7-11(21)10-5-3-2-4-6-10/h2-6,9,11-27H,7-8H2,1H3/t9-,11-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OC[C@H](O)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C20H30O11,pos_1_1proton1ethylamine,446.17881177999976,STTPJOGYSWZEII,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,3,7.5 5170,1670,-1,,,,0.0,MS1_match,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,pos_1_1proton1methanol,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 5171,1670,-1,,,,0.0,MS1_match,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,pos_1_1proton1methanol,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 5172,1669,562,Shikimates and Phenylpropanoids,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_2MHNH3,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,8.5 5173,1669,562,Shikimates and Phenylpropanoids,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MHNH3,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 5174,1669,562,Shikimates and Phenylpropanoids,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_2MHNH3,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,1,8.5 5175,1669,562,Shikimates and Phenylpropanoids,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MHNH3,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,1,8.5 5176,1669,562,Shikimates and Phenylpropanoids,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MHNH3,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,1,8.5 5177,1668,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1proton1ammonium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 5178,1667,78,Alkaloids,Apocarotenoids,Megastigmanes,0.5959245,ISDB,IPDUMYRKLCXLQE-UHFFFAOYSA-N,"InChI=1S/C23H33NO4S/c1-19(2)7-6-8-20(3)14-17-28-22-11-9-21(10-12-22)13-16-24(4)23(25)15-18-29(5,26)27/h7,9-12,14-15,18H,6,8,13,16-17H2,1-5H3",CC(C)=CCCC(C)=CCOc1ccc(CCN(C)C(=O)C=CS(C)(=O)=O)cc1,C23H33NO4S,,419.213029536,IPDUMYRKLCXLQE,Alkaloids,,,Glycosmis trichanthera,755721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis trichanthera'],4,1,6.883697986602783 5179,1667,78,Alkaloids,Apocarotenoids,Megastigmanes,0.5959245,ISDB,IPDUMYRKLCXLQE-UHFFFAOYSA-N,"InChI=1S/C23H33NO4S/c1-19(2)7-6-8-20(3)14-17-28-22-11-9-21(10-12-22)13-16-24(4)23(25)15-18-29(5,26)27/h7,9-12,14-15,18H,6,8,13,16-17H2,1-5H3",CC(C)=CCCC(C)=CCOc1ccc(CCN(C)C(=O)C=CS(C)(=O)=O)cc1,C23H33NO4S,,419.213029536,IPDUMYRKLCXLQE,Alkaloids,,,Glycosmis angustifolia,6125986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis angustifolia'],4,1,6.883697986602783 5180,1664,191,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,0.46981058,ISDB,LUWBRNPYIXNQTG-UHFFFAOYSA-N,"InChI=1S/C15H24O/c1-11(2)15(16)10-9-14(4)8-7-12(3)5-6-13(14)15/h7,13,16H,1,5-6,8-10H2,2-4H3",C=C(C)C1(O)CCC2(C)CC=C(C)CCC21,C15H24O,,220.182715388,LUWBRNPYIXNQTG,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,9.379242300987244 5181,1663,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,MLRIJUWUQTVDQE-RKQHYHRCSA-N,"InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O6,pos_1_1proton1ammonium,284.12598836,MLRIJUWUQTVDQE,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,1,6.5 5182,1663,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,MLRIJUWUQTVDQE-RKQHYHRCSA-N,"InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O6,pos_1_1proton1ammonium,284.12598836,MLRIJUWUQTVDQE,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,1,6.5 5183,1663,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,MLRIJUWUQTVDQE-RKQHYHRCSA-N,"InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O6,pos_1_1proton1ammonium,284.12598836,MLRIJUWUQTVDQE,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,1,6.5 5184,1661,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 5185,1661,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 5186,1661,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,1,8.5 5187,1661,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,1,8.5 5188,1661,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,1,8.5 5189,1661,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 5190,1661,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,1,8.5 5191,1661,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,1,8.5 5192,1661,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,1,8.5 5193,1660,208,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,BVXCYBXEGSWALE-BLGCMAGHSA-N,"InChI=1S/C26H40O6/c1-16(27)31-18-13-19-23(2,3)8-7-9-25(19,5)26-11-10-24(4,15-26)20(12-17(18)26)32-22(29)14-21(28)30-6/h17-20H,7-15H2,1-6H3/t17-,18+,19+,20-,24+,25+,26+/m1/s1",COC(=O)CC(=O)O[C@@H]1C[C@@H]2[C@@H](OC(C)=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3,C26H40O6,pos_2MFe,448.282489,BVXCYBXEGSWALE,Terpenoids,Diterpenoids,Villanovane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,1,6.5 5194,1659,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 5195,1659,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5196,1659,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 5197,1659,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 5198,1659,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 5199,1658,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5200,1658,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5201,1657,502,Shikimates and Phenylpropanoids,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,8.5 5202,1657,502,Shikimates and Phenylpropanoids,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 5203,1657,502,Shikimates and Phenylpropanoids,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,1,8.5 5204,1657,502,Shikimates and Phenylpropanoids,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,1,8.5 5205,1657,502,Shikimates and Phenylpropanoids,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MNa,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,1,8.5 5206,1655,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,1,8.5 5207,1655,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,1,8.5 5208,1654,-1,,,,0.2038121,ISDB,PGYAYSRVSAJXTE-FTLOKQSXSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20-/t22?,33-,34-,38+,39+,40-/m0/s1",CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,0,7.815248429775238 5209,1653,-1,,,,0.0,MS1_match,LGQLHZODXDTPIE-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(32)39-12-21-24(40-15(2)33)25(41-16(3)34)26(42-17(4)35)28(43-21)46-29(13-31)27(23(38)20(11-30)45-29)44-22(37)10-7-18-5-8-19(36)9-6-18/h5-10,20-21,23-28,30-31,36,38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,LGQLHZODXDTPIE,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5210,1653,-1,,,,0.0,MS1_match,VQQQOHZYZBIHTQ-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-23(37)25(41-16(3)33)26(42-17(4)34)28(43-21)46-29(13-40-15(2)32)27(24(38)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,VQQQOHZYZBIHTQ,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5211,1653,-1,,,,0.0,MS1_match,UULRBMDSYFJFGT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,UULRBMDSYFJFGT,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5212,1652,-1,,,,0.75802845,ISDB,PONGJRZSHJPTOF-OTYXRUKQSA-N,"InChI=1S/C15H14O8/c16-7-2-1-5(3-8(7)17)14-9(18)4-6-10(19)11(20)12(21)13(22)15(6)23-14/h1-3,9,14,16-22H,4H2/t9-,14+/m1/s1",Oc1ccc([C@@H]2Oc3c(O)c(O)c(O)c(O)c3C[C@H]2O)cc1O,C15H14O8,,322.068867408,PONGJRZSHJPTOF,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Elephantorrhiza goetzei,1076015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Elephantorrhiza'],['Elephantorrhiza goetzei'],4,0,7.032113790512085 5213,1652,-1,,,,0.75802845,ISDB,PONGJRZSHJPTOF-OTYXRUKQSA-N,"InChI=1S/C15H14O8/c16-7-2-1-5(3-8(7)17)14-9(18)4-6-10(19)11(20)12(21)13(22)15(6)23-14/h1-3,9,14,16-22H,4H2/t9-,14+/m1/s1",Oc1ccc([C@@H]2Oc3c(O)c(O)c(O)c(O)c3C[C@H]2O)cc1O,C15H14O8,,322.068867408,PONGJRZSHJPTOF,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Garcinia dulcis,311068.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia dulcis'],4,0,7.032113790512085 5214,1652,-1,,,,0.75802845,ISDB,PONGJRZSHJPTOF-YMTOWFKASA-N,"InChI=1S/C15H14O8/c16-7-2-1-5(3-8(7)17)14-9(18)4-6-10(19)11(20)12(21)13(22)15(6)23-14/h1-3,9,14,16-22H,4H2/t9-,14-/m1/s1",Oc1ccc([C@H]2Oc3c(O)c(O)c(O)c(O)c3C[C@H]2O)cc1O,C15H14O8,,322.068867408,PONGJRZSHJPTOF,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Wisteria floribunda,489469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Wisteria'],['Wisteria floribunda'],4,0,7.032113790512085 5215,1652,-1,,,,0.75802845,ISDB,PONGJRZSHJPTOF-YMTOWFKASA-N,"InChI=1S/C15H14O8/c16-7-2-1-5(3-8(7)17)14-9(18)4-6-10(19)11(20)12(21)13(22)15(6)23-14/h1-3,9,14,16-22H,4H2/t9-,14-/m1/s1",Oc1ccc([C@H]2Oc3c(O)c(O)c(O)c(O)c3C[C@H]2O)cc1O,C15H14O8,,322.068867408,PONGJRZSHJPTOF,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Pinalia floribunda,3979161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Pinalia'],['Pinalia floribunda'],4,0,7.032113790512085 5216,1650,233,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1proton1ethylamine,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,3,7.5 5217,1649,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 5218,1649,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 5219,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SMFKCIHIAHWGGL-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)C1,C17H20O9,pos_1_1proton,368.11073221999993,SMFKCIHIAHWGGL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5220,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5221,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5222,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5223,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5224,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5225,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5226,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5227,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5228,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5229,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5230,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5231,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5232,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5233,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5234,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5235,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5236,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VTMFDSJJVNQXLT-KSQYBWRXSA-N,"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)O)C[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,VTMFDSJJVNQXLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5237,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5238,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5239,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SMFKCIHIAHWGGL-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)C1,C17H20O9,pos_1_1proton,368.11073221999993,SMFKCIHIAHWGGL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5240,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5241,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5242,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5243,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5244,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5245,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5246,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5247,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5248,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5249,1647,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KQJPBSFVSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5250,1646,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PNEKVLUOGHZVKV-YRRKUQMFSA-N,"InChI=1S/C26H28O14/c1-9(28)22-19(33)21(35)26(39-22)40-24-18(32)16-13(30)6-11(29)7-14(16)37-23(24)10-2-4-12(5-3-10)36-25-20(34)17(31)15(8-27)38-25/h2-7,9,15,17,19-22,25-31,33-35H,8H2,1H3/t9-,15-,17-,19-,20+,21+,22-,25+,26-/m0/s1",C[C@H](O)[C@@H]1O[C@@H](Oc2c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1O,C26H28O14,pos_2MNa,564.147905576,PNEKVLUOGHZVKV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 5251,1645,-1,,,,0.0,MS1_match,SBKHBPAOTDHFBN-UHFFFAOYSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)",CC(=O)OCC1=C2C(OC3OC(CO)C(O)C(O)C3O)OC=C(C(=O)O)C2CC1,C18H24O11,pos_1_1sodium,416.131861588,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,0,6.0 5252,1645,-1,,,,0.0,MS1_match,SBKHBPAOTDHFBN-MXGUJTDSSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)/t9-,11-,13-,14+,15-,17+,18+/m1/s1",CC(=O)OCC1=C2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2CC1,C18H24O11,pos_1_1sodium,416.1318615879998,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 5253,1645,-1,,,,0.0,MS1_match,SBKHBPAOTDHFBN-UHFFFAOYSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)",CC(=O)OCC1=C2C(OC3OC(CO)C(O)C(O)C3O)OC=C(C(=O)O)C2CC1,C18H24O11,pos_1_1sodium,416.131861588,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,0,6.0 5254,1645,-1,,,,0.0,MS1_match,SBKHBPAOTDHFBN-MXGUJTDSSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)/t9-,11-,13-,14+,15-,17+,18+/m1/s1",CC(=O)OCC1=C2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2CC1,C18H24O11,pos_1_1sodium,416.1318615879998,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 5255,1644,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.29774505,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,10.690980195999146 5256,1644,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.29774505,ISDB,MOJZMWJRUKIQGL-WNCKYJNFSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41+,42+,43+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H38O18,,866.2058143760003,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],8,3,10.690980195999146 5257,1644,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.29774505,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,10.690980195999146 5258,1644,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.29774505,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,10.690980195999146 5259,1644,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.29774505,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,10.690980195999146 5260,1644,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.29774505,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,10.690980195999146 5261,1643,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1potassium,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5262,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5263,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5264,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OPGYGNEESA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5265,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5266,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5267,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5268,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5269,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5270,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5271,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OPGYGNEESA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5272,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5273,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5274,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5275,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5276,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5277,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5278,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5279,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5280,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5281,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5282,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5283,1642,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5284,1639,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 5285,1639,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 5286,1639,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 5287,1639,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 5288,1638,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1sodium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5289,1638,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1sodium,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5290,1638,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 5291,1638,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1sodium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5292,1638,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 5293,1636,-1,,,,0.0,MS1_match,UBWUZHMCADSLDT-SOHRVHQUSA-N,"InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C21H36O8,pos_1_1sodium,416.241018112,UBWUZHMCADSLDT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 5294,1635,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.33112705,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Magallana gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,3.8245081901550293 5295,1635,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.33112705,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Crassostrea gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,3.8245081901550293 5296,1635,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.33112705,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula sandai,920655.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula sandai'],1,3,3.8245081901550293 5297,1635,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.33112705,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula japonica,920654.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula japonica'],1,3,3.8245081901550293 5298,1633,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5299,1633,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5300,1631,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5301,1631,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5302,1631,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5303,1631,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5304,1630,161,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.923728,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morus australis,210689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus australis'],5,3,10.19491195678711 5305,1630,161,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.923728,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morus bombycis,210686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus bombycis'],5,3,10.19491195678711 5306,1630,161,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.923728,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],5,3,10.19491195678711 5307,1630,161,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.923728,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morus indica,307703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus indica'],5,3,10.19491195678711 5308,1629,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 5309,1629,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 5310,1629,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 5311,1629,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5312,1629,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5313,1629,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 5314,1629,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5315,1629,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5316,1629,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5317,1628,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ammonium,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 5318,1627,-1,,,,0.0,MS1_match,AUKMHZZVLPQAOX-CDNFTCFOSA-N,"InChI=1S/C20H26O7/c1-10-8-18-9-19(10,27)7-4-11(18)20(16(25)26)6-3-5-17(2,15(23)24)13(20)12(18)14(21)22/h11-13,27H,1,3-9H2,2H3,(H,21,22)(H,23,24)(H,25,26)/t11-,12-,13-,17-,18+,19+,20-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O7,pos_1_1sodium,378.1678531719999,AUKMHZZVLPQAOX,Terpenoids,Diterpenoids,Gibberellins,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 5319,1627,-1,,,,0.0,MS1_match,AUKMHZZVLPQAOX-CDNFTCFOSA-N,"InChI=1S/C20H26O7/c1-10-8-18-9-19(10,27)7-4-11(18)20(16(25)26)6-3-5-17(2,15(23)24)13(20)12(18)14(21)22/h11-13,27H,1,3-9H2,2H3,(H,21,22)(H,23,24)(H,25,26)/t11-,12-,13-,17-,18+,19+,20-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O7,pos_1_1sodium,378.1678531719999,AUKMHZZVLPQAOX,Terpenoids,Diterpenoids,Gibberellins,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 5320,1626,218,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1proton1ammonium,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 5321,1625,-1,,,,0.0,MS1_match,VTKHRLZMWODHJA-GAZXPUAESA-N,"InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)29)24-16(12-35-26-23(32)22(31)21(30)20(11-28)36-26)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,20-,21-,22+,23-,24+,26-/m1/s1",COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H34O11,pos_1_1sodium,522.210111908,VTKHRLZMWODHJA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 5322,1625,-1,,,,0.0,MS1_match,VTKHRLZMWODHJA-GAZXPUAESA-N,"InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)29)24-16(12-35-26-23(32)22(31)21(30)20(11-28)36-26)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,20-,21-,22+,23-,24+,26-/m1/s1",COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H34O11,pos_1_1sodium,522.210111908,VTKHRLZMWODHJA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 5323,1624,-1,,,,0.0,MS1_match,JGBPNQSHUMFCHA-HRIOQITPSA-N,"InChI=1S/C26H32O14/c27-9-16-18(29)20(31)22(33)25(39-16)37-14-7-3-1-5-12(14)11-36-24(35)13-6-2-4-8-15(13)38-26-23(34)21(32)19(30)17(10-28)40-26/h1-8,16-23,25-34H,9-11H2/t16-,17+,18-,19+,20+,21-,22-,23+,25-,26+/m0/s1",O=C(OCc1ccccc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H32O14,pos_2_2proton,568.179205704,JGBPNQSHUMFCHA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 5324,1624,-1,,,,0.0,MS1_match,LVFCLUMIBMHAFL-HMUNZLOLSA-N,"InChI=1S/C13H16O7/c14-6-8-9(15)10(16)11(17)13(19-8)20-12(18)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2/t8-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C13H16O7,pos_1_1proton,284.089602852,LVFCLUMIBMHAFL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,0,8.0 5325,1624,-1,,,,0.0,MS1_match,LVFCLUMIBMHAFL-HMUNZLOLSA-N,"InChI=1S/C13H16O7/c14-6-8-9(15)10(16)11(17)13(19-8)20-12(18)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2/t8-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C13H16O7,pos_1_1proton,284.089602852,LVFCLUMIBMHAFL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 5326,1616,-1,,,,0.0,MS1_match,LGQLHZODXDTPIE-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(32)39-12-21-24(40-15(2)33)25(41-16(3)34)26(42-17(4)35)28(43-21)46-29(13-31)27(23(38)20(11-30)45-29)44-22(37)10-7-18-5-8-19(36)9-6-18/h5-10,20-21,23-28,30-31,36,38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1sodium,656.195249692,LGQLHZODXDTPIE,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5327,1616,-1,,,,0.0,MS1_match,VQQQOHZYZBIHTQ-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-23(37)25(41-16(3)33)26(42-17(4)34)28(43-21)46-29(13-40-15(2)32)27(24(38)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C29H36O17,pos_1_1sodium,656.195249692,VQQQOHZYZBIHTQ,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5328,1616,-1,,,,0.0,MS1_match,UULRBMDSYFJFGT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1sodium,656.195249692,UULRBMDSYFJFGT,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5329,1615,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_2MHNH3,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5330,1615,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_2MHNH3,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5331,1614,653,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1sodium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 5332,1613,-1,,,,0.0,MS1_match,BYSRPHRKESMCPO-XDJXAWJCSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41+,44-,45+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 5333,1613,-1,,,,0.0,MS1_match,BYSRPHRKESMCPO-XDJXAWJCSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41+,44-,45+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 5334,1612,468,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1sodium,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 5335,1611,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MRPJBTFHICBFNE-UHFFFAOYSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3",COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2=O,C16H14O7,pos_1_1proton1methanol,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,1,8.5 5336,1611,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MRPJBTFHICBFNE-JKSUJKDBSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3/t15-,16+/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2=O,C16H14O7,pos_1_1proton1methanol,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,1,8.5 5337,1609,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 5338,1609,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 5339,1609,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 5340,1609,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 5341,1609,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 5342,1608,77,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 5343,1608,77,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5344,1608,77,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 5345,1608,77,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 5346,1607,415,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,OYRNAQRKPVOICQ-JKNURMDQSA-N,"InChI=1S/C18H30O10/c1-4-25-11(12-16(28-17(12)24)9(20)5-8(2)3)7-26-18-15(23)14(22)13(21)10(6-19)27-18/h5,9-16,18-23H,4,6-7H2,1-3H3/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",CCO[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C,C18H30O10,pos_1_1sodium,406.1838971599999,OYRNAQRKPVOICQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,3,7.5 5347,1607,415,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,OYRNAQRKPVOICQ-JKNURMDQSA-N,"InChI=1S/C18H30O10/c1-4-25-11(12-16(28-17(12)24)9(20)5-8(2)3)7-26-18-15(23)14(22)13(21)10(6-19)27-18/h5,9-16,18-23H,4,6-7H2,1-3H3/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",CCO[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C,C18H30O10,pos_1_1sodium,406.1838971599999,OYRNAQRKPVOICQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,3,7.5 5348,1606,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ammonium,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 5349,1604,88,Polyketides,Meroterpenoids,Naphthalenes and derivatives,0.49632955,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,3,7.485318183898926 5350,1603,-1,,,,0.0,MS1_match,OTLZRRUHHNDQIU-VYSNIOHCSA-N,"InChI=1S/C29H32O17/c1-9-19(35)22(38)24(40)28(42-9)41-8-17-20(36)23(39)27(43-10(2)30)29(45-17)46-26-21(37)18-15(34)6-12(31)7-16(18)44-25(26)11-3-4-13(32)14(33)5-11/h3-7,9,17,19-20,22-24,27-29,31-36,38-40H,8H2,1-2H3/t9-,17+,19-,20+,22+,23-,24-,27+,28+,29-/m0/s1",CC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,C29H32O17,pos_1_1sodium,652.163949564,OTLZRRUHHNDQIU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 5351,1601,-1,,,,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1proton1ethylamine,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 5352,1601,-1,,,,0.0,MS1_match,IIRLJBYCOBQSFR-OPKVVABASA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)11-8-20-6-9-21(37)10-7-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1proton1ethylamine,698.205814376,IIRLJBYCOBQSFR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 5353,1601,-1,,,,0.0,MS1_match,XEULPBRTZLSETH-OZNBHJLGSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)27(44-18(4)35)28(45-19(5)36)30(46-22)49-31(14-43-17(3)34)29(26(40)23(48-31)13-42-16(2)33)47-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1proton1ethylamine,698.205814376,XEULPBRTZLSETH,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 5354,1601,-1,,,,0.0,MS1_match,YTERZBXYMRSCJV-WWXINNHQSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)10-9-20-7-6-8-21(37)11-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b10-9-/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C31H38O18,pos_1_1proton1ethylamine,698.205814376,YTERZBXYMRSCJV,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 5355,1600,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Cotoneaster horizontalis,51794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster horizontalis'],7,1,7.5 5356,1600,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Cotoneaster divaricatus,600654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster divaricatus'],7,1,7.5 5357,1600,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Cotoneaster acutifolius,103228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster acutifolius'],7,1,7.5 5358,1600,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Chamaemespilus alpina,144393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chamaemespilus'],['Chamaemespilus alpina'],7,1,7.5 5359,1600,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Cormus domestica,366115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cormus'],['Cormus domestica'],7,1,7.5 5360,1600,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Sorbus domestica,761194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus domestica'],7,1,7.5 5361,1600,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Sorbus chamaemespilus,482722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus chamaemespilus'],7,1,7.5 5362,1599,-1,,,,0.0,MS1_match,GEEFIZNKWFRPBI-KIRITSJKSA-N,"InChI=1S/C15H20O7/c1-8(6-10(17)18)4-5-15(21)13(2)7-9(16)11(19)14(15,3)12(20)22-13/h4-6,9,11,16,19,21H,7H2,1-3H3,(H,17,18)/b5-4+,8-6-/t9-,11+,13+,14+,15-/m0/s1",CC(=C/C(=O)O)/C=C/[C@]1(O)[C@@]2(C)C[C@H](O)[C@@H](O)[C@]1(C)C(=O)O2,C15H20O7,pos_1_1proton1ammonium,312.12090298,GEEFIZNKWFRPBI,Terpenoids,Sesquiterpenoids,Cyclofarnesane sesquiterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 5363,1599,-1,,,,0.0,MS1_match,LVFCLUMIBMHAFL-HMUNZLOLSA-N,"InChI=1S/C13H16O7/c14-6-8-9(15)10(16)11(17)13(19-8)20-12(18)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2/t8-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C13H16O7,pos_1_1proton1ethylamine,284.089602852,LVFCLUMIBMHAFL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,0,8.0 5364,1599,-1,,,,0.0,MS1_match,LVFCLUMIBMHAFL-HMUNZLOLSA-N,"InChI=1S/C13H16O7/c14-6-8-9(15)10(16)11(17)13(19-8)20-12(18)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2/t8-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C13H16O7,pos_1_1proton1ethylamine,284.089602852,LVFCLUMIBMHAFL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 5365,1598,-1,,,,0.0,MS1_match,LGQLHZODXDTPIE-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(32)39-12-21-24(40-15(2)33)25(41-16(3)34)26(42-17(4)35)28(43-21)46-29(13-31)27(23(38)20(11-30)45-29)44-22(37)10-7-18-5-8-19(36)9-6-18/h5-10,20-21,23-28,30-31,36,38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1sodium,656.195249692,LGQLHZODXDTPIE,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5366,1598,-1,,,,0.0,MS1_match,VQQQOHZYZBIHTQ-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-23(37)25(41-16(3)33)26(42-17(4)34)28(43-21)46-29(13-40-15(2)32)27(24(38)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C29H36O17,pos_1_1sodium,656.195249692,VQQQOHZYZBIHTQ,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5367,1598,-1,,,,0.0,MS1_match,UULRBMDSYFJFGT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1sodium,656.195249692,UULRBMDSYFJFGT,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5368,1597,283,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5369,1597,283,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 5370,1597,283,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5371,1597,283,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5372,1597,283,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 5373,1597,283,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5374,1597,283,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5375,1595,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 5376,1593,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.3567094,ISDB,KCYOZNARADAZIZ-GZIUEBSLSA-N,"InChI=1S/C40H56O3/c1-28(18-13-20-30(3)33-24-35-37(5,6)22-15-23-39(35,9)42-33)16-11-12-17-29(2)19-14-21-31(4)34-25-36-38(7,8)26-32(41)27-40(36,10)43-34/h11-14,16-21,24-25,32-34,41H,15,22-23,26-27H2,1-10H3/b12-11+,18-13+,19-14+,28-16+,29-17+,30-20+,31-21+/t32-,33+,34+,39-,40+/m1/s1",CC(/C=C/C=C(\C)[C@@H]1C=C2C(C)(C)CCC[C@@]2(C)O1)=C\C=C\C=C(C)\C=C\C=C(/C)[C@@H]1C=C2C(C)(C)C[C@@H](O)C[C@]2(C)O1,C40H56O3,,584.422945652,KCYOZNARADAZIZ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,8.92683756351471 5377,1590,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.86766183,ISDB,LSVDZSJFTRYMRU-SHTWCFQWSA-N,"InChI=1S/C26H28O15/c27-7-14-17(31)20(34)22(36)26(39-14)40-15-8-37-25(21(35)18(15)32)41-24-19(33)16-12(30)5-11(29)6-13(16)38-23(24)9-1-3-10(28)4-2-9/h1-6,14-15,17-18,20-22,25-32,34-36H,7-8H2/t14-,15+,17-,18-,20+,21+,22-,25-,26+/m1/s1",O=c1c(O[C@H]2OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C26H28O15,,580.142820196,LSVDZSJFTRYMRU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,10.97064733505249 5378,1590,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.86766183,ISDB,LSVDZSJFTRYMRU-SHTWCFQWSA-N,"InChI=1S/C26H28O15/c27-7-14-17(31)20(34)22(36)26(39-14)40-15-8-37-25(21(35)18(15)32)41-24-19(33)16-12(30)5-11(29)6-13(16)38-23(24)9-1-3-10(28)4-2-9/h1-6,14-15,17-18,20-22,25-32,34-36H,7-8H2/t14-,15+,17-,18-,20+,21+,22-,25-,26+/m1/s1",O=c1c(O[C@H]2OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C26H28O15,,580.142820196,LSVDZSJFTRYMRU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,10.97064733505249 5379,1589,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SOSLMHZOJATCCP-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3",CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O10,pos_1_1proton,432.10564684,SOSLMHZOJATCCP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5380,1589,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SOSLMHZOJATCCP-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3",CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O10,pos_1_1proton,432.10564684,SOSLMHZOJATCCP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5381,1588,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,LVFCLUMIBMHAFL-HMUNZLOLSA-N,"InChI=1S/C13H16O7/c14-6-8-9(15)10(16)11(17)13(19-8)20-12(18)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2/t8-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C13H16O7,pos_1_1proton1ammonium,284.089602852,LVFCLUMIBMHAFL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,1,8.5 5382,1588,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,LVFCLUMIBMHAFL-HMUNZLOLSA-N,"InChI=1S/C13H16O7/c14-6-8-9(15)10(16)11(17)13(19-8)20-12(18)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2/t8-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C13H16O7,pos_1_1proton1ammonium,284.089602852,LVFCLUMIBMHAFL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,1,8.5 5383,1587,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-UHFFFAOYSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)",O=C(O)C=Cc1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 5384,1587,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5385,1587,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5386,1587,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5387,1587,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5388,1587,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 5389,1587,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5390,1586,-1,,,,0.0,MS1_match,RXPCAYUGVCVMEX-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-24(39-15(3)31)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(21(34)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O,C27H34O16,pos_1_minus1proton2sodium,614.184685008,RXPCAYUGVCVMEX,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,0,9.0 5391,1586,-1,,,,0.0,MS1_match,RVECJMKUWCVVGH-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-21(35)23(38-14(2)31)24(39-15(3)32)26(40-19)43-27(12-29)25(22(36)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_minus1proton2sodium,614.184685008,RVECJMKUWCVVGH,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,0,9.0 5392,1586,-1,,,,0.0,MS1_match,UZVXGFFYDMWFAY-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-23(38-14(2)31)24(39-15(3)32)22(36)26(40-19)43-27(12-29)25(21(35)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C27H34O16,pos_1_minus1proton2sodium,614.1846850079999,UZVXGFFYDMWFAY,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,0,9.0 5393,1586,-1,,,,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_minus1proton2sodium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,0,9.0 5394,1586,-1,,,,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_minus1proton2sodium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5395,1586,-1,,,,0.0,MS1_match,IUWNEFXWBDZQHK-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_minus1proton2sodium,614.184685008,IUWNEFXWBDZQHK,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,0,9.0 5396,1586,-1,,,,0.0,MS1_match,JKZKIQWFVBPCHT-BTUCETIBSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(24(39-15(3)31)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22+,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](OC(C)=O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_minus1proton2sodium,614.184685008,JKZKIQWFVBPCHT,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,0,9.0 5397,1585,653,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1sodium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 5398,1584,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SOVOSNMYOLGARG-QETNVOEASA-N,"InChI=1S/C27H30O15/c1-9-17(30)20(33)23(36)26(39-9)38-8-15-18(31)21(34)24(37)27(42-15)40-12-6-13(29)16-14(7-12)41-25(22(35)19(16)32)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-21,23-24,26-31,33-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1sodium,594.15847026,SOVOSNMYOLGARG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 5399,1584,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1sodium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5400,1584,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1sodium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5401,1584,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-ZFDPGQBLSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15-,17-,18+,20-,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H30O15,pos_1_1sodium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5402,1584,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1sodium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 5403,1584,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZEJXENDZTYVXDP-CSJHBIPPSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1sodium,594.1584702600001,ZEJXENDZTYVXDP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5404,1584,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZEJXENDZTYVXDP-CSJHBIPPSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1sodium,594.1584702600001,ZEJXENDZTYVXDP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5405,1584,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1sodium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 5406,1583,190,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.2318472,ISDB,OTLZRRUHHNDQIU-VYSNIOHCSA-N,"InChI=1S/C29H32O17/c1-9-19(35)22(38)24(40)28(42-9)41-8-17-20(36)23(39)27(43-10(2)30)29(45-17)46-26-21(37)18-15(34)6-12(31)7-16(18)44-25(26)11-3-4-13(32)14(33)5-11/h3-7,9,17,19-20,22-24,27-29,31-36,38-40H,8H2,1-2H3/t9-,17+,19-,20+,22+,23-,24-,27+,28+,29-/m0/s1",CC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,C29H32O17,,652.163949564,OTLZRRUHHNDQIU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,10.427388787269592 5407,1582,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,VTKHRLZMWODHJA-GAZXPUAESA-N,"InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)29)24-16(12-35-26-23(32)22(31)21(30)20(11-28)36-26)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,20-,21-,22+,23-,24+,26-/m1/s1",COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H34O11,pos_1_1proton1ammonium,522.210111908,VTKHRLZMWODHJA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5408,1582,35,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,VTKHRLZMWODHJA-GAZXPUAESA-N,"InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)29)24-16(12-35-26-23(32)22(31)21(30)20(11-28)36-26)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,20-,21-,22+,23-,24+,26-/m1/s1",COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H34O11,pos_1_1proton1ammonium,522.210111908,VTKHRLZMWODHJA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5409,1581,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Cotoneaster horizontalis,51794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster horizontalis'],7,1,7.5 5410,1581,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Cotoneaster divaricatus,600654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster divaricatus'],7,1,7.5 5411,1581,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Cotoneaster acutifolius,103228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster acutifolius'],7,1,7.5 5412,1581,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Chamaemespilus alpina,144393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chamaemespilus'],['Chamaemespilus alpina'],7,1,7.5 5413,1581,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Cormus domestica,366115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cormus'],['Cormus domestica'],7,1,7.5 5414,1581,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Sorbus domestica,761194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus domestica'],7,1,7.5 5415,1581,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XDODOEVDIQGYQT-UHFFFAOYSA-N,"InChI=1S/C14H12O5/c1-17-13-10(16)6-9-8-4-3-7(15)5-11(8)19-12(9)14(13)18-2/h3-6,15-16H,1-2H3",COc1c(O)cc2c(oc3cc(O)ccc32)c1OC,C14H12O5,pos_1_1proton1methanol,260.06847348400004,XDODOEVDIQGYQT,Shikimates and Phenylpropanoids,Isoflavonoids,,Sorbus chamaemespilus,482722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus chamaemespilus'],7,1,7.5 5416,1580,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 5417,1580,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 5418,1579,-1,,,,0.0,MS1_match,IWFNDNSEUAIXJM-KVWRXITHSA-N,"InChI=1S/C32H40O18/c1-16(33)42-12-24-28(46-18(3)35)30(48-20(5)37)27(40)23(49-24)14-45-32(15-44-17(2)34)31(41)29(47-19(4)36)25(50-32)13-43-26(39)11-8-21-6-9-22(38)10-7-21/h6-11,23-25,27-31,38,40-41H,12-15H2,1-5H3/b11-8+/t23-,24-,25-,27+,28-,29+,30-,31-,32-/m1/s1",CC(=O)OC[C@H]1O[C@H](CO[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C32H40O18,pos_2_2proton2acetonitrile,712.2214644399999,IWFNDNSEUAIXJM,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 5419,1579,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1acetonitrile,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 5420,1579,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1acetonitrile,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 5421,1579,-1,,,,0.0,MS1_match,WSHSQJSPOLYHLM-YMILTQATSA-N,"InChI=1S/C16H20O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h4-5,11,13-17,19-21H,2-3,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2c(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CC2,C16H20O9,pos_1_1proton1acetonitrile,356.1107322199999,WSHSQJSPOLYHLM,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5422,1578,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,DNQQEEOKVVSMQI-JZTLDUIISA-N,"InChI=1S/C16H19NO9/c18-6-9-11(21)12(22)13(23)14(25-9)26-16(5-10(19)20)7-3-1-2-4-8(7)17-15(16)24/h1-4,9,11-14,18,21-23H,5-6H2,(H,17,24)(H,19,20)/t9-,11-,12+,13-,14+,16-/m1/s1",O=C(O)C[C@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)Nc2ccccc21,C16H19NO9,pos_1_1proton,369.105981188,DNQQEEOKVVSMQI,Alkaloids,Tryptophan alkaloids,Simple oxindole alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 5423,1577,-1,,,,0.0,MS1_match,LGQLHZODXDTPIE-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(32)39-12-21-24(40-15(2)33)25(41-16(3)34)26(42-17(4)35)28(43-21)46-29(13-31)27(23(38)20(11-30)45-29)44-22(37)10-7-18-5-8-19(36)9-6-18/h5-10,20-21,23-28,30-31,36,38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1sodium,656.195249692,LGQLHZODXDTPIE,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5424,1577,-1,,,,0.0,MS1_match,VQQQOHZYZBIHTQ-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-23(37)25(41-16(3)33)26(42-17(4)34)28(43-21)46-29(13-40-15(2)32)27(24(38)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C29H36O17,pos_1_1sodium,656.195249692,VQQQOHZYZBIHTQ,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5425,1577,-1,,,,0.0,MS1_match,UULRBMDSYFJFGT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1sodium,656.195249692,UULRBMDSYFJFGT,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5426,1576,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 5427,1576,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 5428,1576,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 5429,1576,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5430,1576,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5431,1576,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 5432,1576,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5433,1576,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 5434,1576,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5435,1574,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1proton1ammonium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 5436,1572,397,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6514825,ISDB,VQUPQWGKORWZII-WDPYGAQVSA-N,"InChI=1S/C21H22O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-25,27-28H,1H3/t8-,15-,17+,18+,19+,20-,21-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O,C21H22O10,,434.1212969039999,VQUPQWGKORWZII,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Artocarpus lacucha,702285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Artocarpus'],['Artocarpus lacucha'],5,3,9.105930089950562 5437,1572,397,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6514825,ISDB,VQUPQWGKORWZII-WDPYGAQVSA-N,"InChI=1S/C21H22O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-25,27-28H,1H3/t8-,15-,17+,18+,19+,20-,21-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O,C21H22O10,,434.1212969039999,VQUPQWGKORWZII,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Artocarpus dadah,896408.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Artocarpus'],['Artocarpus dadah'],5,3,9.105930089950562 5438,1572,397,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6514825,ISDB,VQUPQWGKORWZII-UZFIDVBXSA-N,"InChI=1S/C21H22O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-25,27-28H,1H3/t8-,15+,17+,18+,19+,20-,21+/m0/s1",C[C@@H]1O[C@H](O[C@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)[C@H](O)[C@H](O)[C@@H]1O,C21H22O10,,434.121296904,VQUPQWGKORWZII,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Artocarpus,83990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Artocarpus'],['Unknown'],5,3,9.105930089950562 5439,1571,-1,,,,0.0,MS1_match,HORBXLYCYBKIBU-UHFFFAOYSA-N,"InChI=1S/C14H10O6/c1-18-13-9-11(17)10(16)6-4-3-5-7(15)8(6)12(9)20-14(13)19-2/h3-5,15H,1-2H3",COc1oc2c(c1OC)C(=O)C(=O)c1cccc(O)c1-2,C14H10O6,pos_1_1proton2acetonitrile,274.04773804,HORBXLYCYBKIBU,Polyketides,Naphthalenes,Naphthoquinones,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 5440,1570,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.798263,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,13.693052053451538 5441,1569,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1proton1ethylamine,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 5442,1568,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ammonium,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 5443,1567,190,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.32139844,ISDB,LLMVHKRJAVIEOD-APRNLGALSA-N,"InChI=1S/C29H32O16/c1-10(30)24-20(36)22(38)29(43-24)44-26-17(9-40-11(2)31)42-28(23(39)21(26)37)45-27-19(35)18-15(34)7-14(33)8-16(18)41-25(27)12-3-5-13(32)6-4-12/h3-8,10,17,20-24,26,28-30,32-34,36-39H,9H2,1-2H3/t10-,17+,20-,21+,22+,23+,24-,26+,28-,29-/m0/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@H](C)O)[C@@H](O)[C@H]1O,C29H32O16,,636.169034944,LLMVHKRJAVIEOD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa multiflora,908464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa multiflora'],6,3,8.785593748092651 5444,1566,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PNEKVLUOGHZVKV-YRRKUQMFSA-N,"InChI=1S/C26H28O14/c1-9(28)22-19(33)21(35)26(39-22)40-24-18(32)16-13(30)6-11(29)7-14(16)37-23(24)10-2-4-12(5-3-10)36-25-20(34)17(31)15(8-27)38-25/h2-7,9,15,17,19-22,25-31,33-35H,8H2,1H3/t9-,15-,17-,19-,20+,21+,22-,25+,26-/m0/s1",C[C@H](O)[C@@H]1O[C@@H](Oc2c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1O,C26H28O14,pos_1_1sodium,564.147905576,PNEKVLUOGHZVKV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 5445,1564,79,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JGBPNQSHUMFCHA-HRIOQITPSA-N,"InChI=1S/C26H32O14/c27-9-16-18(29)20(31)22(33)25(39-16)37-14-7-3-1-5-12(14)11-36-24(35)13-6-2-4-8-15(13)38-26-23(34)21(32)19(30)17(10-28)40-26/h1-8,16-23,25-34H,9-11H2/t16-,17+,18-,19+,20+,21-,22-,23+,25-,26+/m0/s1",O=C(OCc1ccccc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H32O14,pos_2_2sodium,568.179205704,JGBPNQSHUMFCHA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,1,8.5 5446,1564,79,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LVFCLUMIBMHAFL-HMUNZLOLSA-N,"InChI=1S/C13H16O7/c14-6-8-9(15)10(16)11(17)13(19-8)20-12(18)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2/t8-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C13H16O7,pos_1_1sodium,284.089602852,LVFCLUMIBMHAFL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,1,8.5 5447,1564,79,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LVFCLUMIBMHAFL-HMUNZLOLSA-N,"InChI=1S/C13H16O7/c14-6-8-9(15)10(16)11(17)13(19-8)20-12(18)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2/t8-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C13H16O7,pos_1_1sodium,284.089602852,LVFCLUMIBMHAFL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,1,8.5 5448,1562,-1,,,,0.0,MS1_match,SOSLMHZOJATCCP-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3",CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O10,pos_1_1proton,432.10564684,SOSLMHZOJATCCP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 5449,1562,-1,,,,0.0,MS1_match,SOSLMHZOJATCCP-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3",CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O10,pos_1_1proton,432.10564684,SOSLMHZOJATCCP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 5450,1561,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1potassium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5451,1561,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1potassium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5452,1560,291,Terpenoids,Diterpenoids,Villanovane diterpenoids,0.0,MS1_match,BVXCYBXEGSWALE-BLGCMAGHSA-N,"InChI=1S/C26H40O6/c1-16(27)31-18-13-19-23(2,3)8-7-9-25(19,5)26-11-10-24(4,15-26)20(12-17(18)26)32-22(29)14-21(28)30-6/h17-20H,7-15H2,1-6H3/t17-,18+,19+,20-,24+,25+,26+/m1/s1",COC(=O)CC(=O)O[C@@H]1C[C@@H]2[C@@H](OC(C)=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3,C26H40O6,pos_2MFe,448.282489,BVXCYBXEGSWALE,Terpenoids,Diterpenoids,Villanovane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,3,7.5 5453,1557,-1,,,,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1sodium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 5454,1557,-1,,,,0.0,MS1_match,IIRLJBYCOBQSFR-OPKVVABASA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)11-8-20-6-9-21(37)10-7-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1sodium,698.205814376,IIRLJBYCOBQSFR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 5455,1557,-1,,,,0.0,MS1_match,XEULPBRTZLSETH-OZNBHJLGSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)27(44-18(4)35)28(45-19(5)36)30(46-22)49-31(14-43-17(3)34)29(26(40)23(48-31)13-42-16(2)33)47-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1sodium,698.205814376,XEULPBRTZLSETH,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 5456,1557,-1,,,,0.0,MS1_match,YTERZBXYMRSCJV-WWXINNHQSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)10-9-20-7-6-8-21(37)11-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b10-9-/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C31H38O18,pos_1_1sodium,698.205814376,YTERZBXYMRSCJV,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 5457,1556,435,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_2MH,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,10.0 5458,1554,25,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,DJOWTWWHMWQATC-XWQDSZIKSA-N,"InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39+,40+/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1,C40H58O4,pos_2MCa,602.433510336,DJOWTWWHMWQATC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa villosa,1091505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa villosa'],6,3,7.5 5459,1554,25,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,DJOWTWWHMWQATC-XWQDSZIKSA-N,"InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39+,40+/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1,C40H58O4,pos_2MCa,602.433510336,DJOWTWWHMWQATC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa pomifera,1091505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa villosa'],6,3,7.5 5460,1552,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1sodium,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5461,1551,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1proton1ammonium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 5462,1550,176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8974265,ISDB,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,13.08970594406128 5463,1550,176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8974265,ISDB,RTATXGUCZHCSNG-ZFDPGQBLSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15-,17-,18+,20-,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H30O15,,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,13.08970594406128 5464,1550,176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8974265,ISDB,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,13.08970594406128 5465,1550,176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8974265,ISDB,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,13.08970594406128 5466,1550,176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8974265,ISDB,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,13.08970594406128 5467,1549,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SOSLMHZOJATCCP-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3",CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O10,pos_1_1proton,432.10564684,SOSLMHZOJATCCP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5468,1549,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SOSLMHZOJATCCP-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3",CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O10,pos_1_1proton,432.10564684,SOSLMHZOJATCCP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5469,1548,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ammonium,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5470,1547,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 5471,1547,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 5472,1547,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PUXKQFMZRYJBBE-ZJBBONHWSA-N,"InChI=1S/C27H30O14/c1-9(28)23-20(34)22(36)27(40-23)41-25-18(32)16-14(30)7-13(38-26-21(35)19(33)17(31)10(2)37-26)8-15(16)39-24(25)11-3-5-12(29)6-4-11/h3-10,17,19-23,26-31,33-36H,1-2H3/t9-,10+,17+,19-,20+,21-,22-,23-,26+,27+/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)c3c2=O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,PUXKQFMZRYJBBE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 5473,1546,176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.24753217,ISDB,PNEKVLUOGHZVKV-YRRKUQMFSA-N,"InChI=1S/C26H28O14/c1-9(28)22-19(33)21(35)26(39-22)40-24-18(32)16-13(30)6-11(29)7-14(16)37-23(24)10-2-4-12(5-3-10)36-25-20(34)17(31)15(8-27)38-25/h2-7,9,15,17,19-22,25-31,33-35H,8H2,1H3/t9-,15-,17-,19-,20+,21+,22-,25+,26-/m0/s1",C[C@H](O)[C@@H]1O[C@@H](Oc2c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1O,C26H28O14,,564.147905576,PNEKVLUOGHZVKV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,10.490128695964813 5474,1545,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,QZZGJDVWLFXDLK-UHFFFAOYSA-N,"InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)",CCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C24H48O2,pos_2_2proton2acetonitrile,368.3654307759999,QZZGJDVWLFXDLK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 5475,1545,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,QZZGJDVWLFXDLK-UHFFFAOYSA-N,"InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)",CCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C24H48O2,pos_2_2proton2acetonitrile,368.3654307759999,QZZGJDVWLFXDLK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 5476,1545,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,QZZGJDVWLFXDLK-UHFFFAOYSA-N,"InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)",CCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C24H48O2,pos_2_2proton2acetonitrile,368.3654307759999,QZZGJDVWLFXDLK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 5477,1543,-1,,,,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ammonium,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5478,1543,-1,,,,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ammonium,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 5479,1543,-1,,,,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ammonium,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 5480,1543,-1,,,,0.0,MS1_match,UPRXEFYRIACHQZ-OMMCCPJFSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5-/t10-/m0/s1",C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5481,1543,-1,,,,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5482,1543,-1,,,,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 5483,1543,-1,,,,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 5484,1543,-1,,,,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 5485,1541,526,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C=CCc1ccc(OC)c(OC)c1,C11H14O2,pos_1_1proton,178.099379688,ZYEMGPIYFIJGTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,3,7.5 5486,1541,526,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C=CCc1ccc(OC)c(OC)c1,C11H14O2,pos_1_1proton,178.099379688,ZYEMGPIYFIJGTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 5487,1541,526,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C=CCc1ccc(OC)c(OC)c1,C11H14O2,pos_1_1proton,178.099379688,ZYEMGPIYFIJGTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 5488,1539,141,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HUKWADINTARKBT-DDYRGYEHSA-N,"InChI=1S/C23H23NO9/c24-11-17(14-4-2-1-3-5-14)32-23-22(30)21(29)20(28)18(33-23)12-31-19(27)9-7-13-6-8-15(25)16(26)10-13/h1-10,17-18,20-23,25-26,28-30H,12H2/b9-7+/t17-,18+,20+,21-,22+,23+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C23H23NO9,pos_1_1proton1isopropanol,457.137281316,HUKWADINTARKBT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 5489,1539,141,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HUKWADINTARKBT-DDYRGYEHSA-N,"InChI=1S/C23H23NO9/c24-11-17(14-4-2-1-3-5-14)32-23-22(30)21(29)20(28)18(33-23)12-31-19(27)9-7-13-6-8-15(25)16(26)10-13/h1-10,17-18,20-23,25-26,28-30H,12H2/b9-7+/t17-,18+,20+,21-,22+,23+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C23H23NO9,pos_1_1proton1isopropanol,457.137281316,HUKWADINTARKBT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 5490,1539,141,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UPASGSSMBIZMDX-WNENLGFLSA-N,"InChI=1S/C24H28O10/c1-31-18-12-15(4-8-17(18)26)5-9-20(27)33-13-19-21(28)22(29)23(30)24(34-19)32-11-10-14-2-6-16(25)7-3-14/h2-9,12,19,21-26,28-30H,10-11,13H2,1H3/b9-5+/t19-,21-,22+,23-,24-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C24H28O10,pos_1_1proton1acetonitrile,476.168247096,UPASGSSMBIZMDX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 5491,1538,290,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.22897105,ISDB,VBYGVAYPZKNUEG-ZHOVTUGESA-N,"InChI=1S/C30H44O3/c1-18-7-8-21(33-25(18)32)19(2)20-11-13-28(6)23-10-9-22-26(3,4)24(31)12-14-29(22)17-30(23,29)16-15-27(20,28)5/h7,19-23H,8-17H2,1-6H3/t19-,20+,21+,22-,23-,27+,28-,29+,30-/m0/s1",CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)OC1=O,C30H44O3,,452.329045268,VBYGVAYPZKNUEG,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Kadsura philippinensis,5689596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Kadsura'],['Kadsura philippinensis'],4,3,6.41588419675827 5492,1537,-1,,,,0.22440991,ISDB,WKVZBLIEJQJTCN-NMCUBPODSA-N,"InChI=1S/C39H54O7/c1-23-15-18-39(34(44)45)20-19-37(5)27(32(39)24(23)2)12-13-30-35(3)21-28(42)33(36(4,22-40)29(35)16-17-38(30,37)6)46-31(43)14-9-25-7-10-26(41)11-8-25/h7-12,14,23-24,28-30,32-33,40-42H,13,15-22H2,1-6H3,(H,44,45)/b14-9+/t23-,24+,28-,29-,30-,32+,33-,35+,36+,37-,38-,39+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](OC(=O)/C=C/c6ccc(O)cc6)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C39H54O7,,634.386954068,WKVZBLIEJQJTCN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Actinidia polygama,9477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia polygama'],4,0,4.897639632225037 5493,1536,-1,,,,0.0,MS1_match,NBLLRWANAFOKON-ZHZXCYKASA-N,"InChI=1S/C15H22O9/c1-20-8-4-7(5-9(21-2)14(8)22-3)23-15-13(19)12(18)11(17)10(6-16)24-15/h4-5,10-13,15-19H,6H2,1-3H3/t10-,11-,12+,13-,15-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,C15H22O9,pos_1_1potassium,346.126382284,NBLLRWANAFOKON,,,,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 5494,1536,-1,,,,0.0,MS1_match,NBLLRWANAFOKON-ZHZXCYKASA-N,"InChI=1S/C15H22O9/c1-20-8-4-7(5-9(21-2)14(8)22-3)23-15-13(19)12(18)11(17)10(6-16)24-15/h4-5,10-13,15-19H,6H2,1-3H3/t10-,11-,12+,13-,15-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,C15H22O9,pos_1_1potassium,346.126382284,NBLLRWANAFOKON,,,,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 5495,1536,-1,,,,0.0,MS1_match,NZUIJGRMABSDPS-RNMKKKFZSA-N,"InChI=1S/C15H22O9/c1-5-8-6(10(18)9(5)17)2-3-22-14(8)24-15-13(21)12(20)11(19)7(4-16)23-15/h2-3,6-21H,1,4H2/t6-,7-,8-,9-,10+,11-,12+,13-,14+,15+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@H]2[C@H](O)[C@@H]1O,C15H22O9,pos_1_1potassium,346.126382284,NZUIJGRMABSDPS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 5496,1536,-1,,,,0.0,MS1_match,NMGLHCRCWAPJGC-RFGHRSJTSA-N,"InChI=1S/C15H22O9/c1-6-5-22-13(20)7-2-3-21-14(9(6)7)24-15-12(19)11(18)10(17)8(4-16)23-15/h2-3,6-12,14-19H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,14-,15-/m0/s1",C[C@H]1COC(=O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O9,pos_1_1potassium,346.126382284,NMGLHCRCWAPJGC,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 5497,1534,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 5498,1534,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5499,1534,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 5500,1534,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-WVXKDWSHSA-O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O,C21H21O11+,pos_1_1proton,449.10783791208985,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 5501,1534,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5502,1534,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 5503,1533,235,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,0.0,MS1_match,XUPXMIAWKPTZLZ-UHFFFAOYSA-N,"InChI=1S/C7H14O/c1-4-6(2)5-7(3)8/h6H,4-5H2,1-3H3",CCC(C)CC(C)=O,C7H14O,pos_2MCH3CNNa,114.104465068,XUPXMIAWKPTZLZ,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5504,1532,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SOSLMHZOJATCCP-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3",CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O10,pos_1_1proton,432.10564684,SOSLMHZOJATCCP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5505,1532,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SOSLMHZOJATCCP-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3",CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O10,pos_1_1proton,432.10564684,SOSLMHZOJATCCP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5506,1531,317,Terpenoids,Monoterpenoids,,0.0,MS1_match,KRHXGSVJPFGCQY-SOVLZIDRSA-N,"InChI=1S/C25H30O11/c1-13(2)11-17-20(28)16(24(32)35-17)9-10-33-25-23(31)22(30)21(29)18(36-25)12-34-19(27)8-5-14-3-6-15(26)7-4-14/h3-9,11,17-18,20-23,25-26,28-31H,10,12H2,1-2H3/b8-5-,16-9-/t17-,18-,20+,21-,22+,23-,25-/m1/s1",CC(C)=C[C@H]1OC(=O)/C(=C\CO[C@@H]2O[C@H](COC(=O)/C=C\c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,C25H30O11,pos_1_1proton1acetonitrile,506.17881178,KRHXGSVJPFGCQY,Terpenoids,Monoterpenoids,,Spiraea cantoniensis,873706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea cantoniensis'],6,2,7.0 5507,1530,121,Terpenoids,Sesquiterpenoids,Noreremophilane sesquiterpenoids,0.0,MS1_match,COUZLISOMSOQSA-ORUWWINDSA-N,"InChI=1S/C14H18O3/c1-8-12(16)5-4-10-6-13(17)11(9(2)15)7-14(8,10)3/h6-8,12,16H,4-5H2,1-3H3/t8-,12-,14+/m0/s1",CC(=O)C1=C[C@@]2(C)C(=CC1=O)CC[C@H](O)[C@@H]2C,C14H18O3,pos_1_1proton1isopropanol,234.125594436,COUZLISOMSOQSA,Terpenoids,Sesquiterpenoids,Noreremophilane sesquiterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 5508,1529,400,Fatty acids,Fatty esters,Wax monoesters,0.35444123,ISDB,MOBABZAVADBVLY-CMWXKVOJSA-N,"InChI=1S/C11H20O3/c1-9(7-8-12)5-4-6-10(2)11(13)14-3/h6,9,12H,4-5,7-8H2,1-3H3/b10-6+/t9-/m0/s1",COC(=O)/C(C)=C/CC[C@H](C)CCO,C11H20O3,,200.1412445,MOBABZAVADBVLY,Fatty acids,Fatty esters,Wax monoesters,Hoffmannia strigillosa,3881053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Hamelieae'],['Hoffmannia'],['Hoffmannia strigillosa'],0,3,2.917764902114868 5509,1527,2,Fatty acids,Fatty amides,Fatty aldehydes,0.0,MS1_match,LTUMRKDLVGQMJU-UHFFFAOYSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3",CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)C,C18H30O,pos_1_1proton1ethylamine,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,3,7.5 5510,1524,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 5511,1524,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5512,1523,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5513,1523,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 5514,1523,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 5515,1523,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 5516,1523,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5517,1523,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 5518,1523,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 5519,1523,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 5520,1523,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5521,1521,416,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,IKXFGEKULKZDCJ-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8(6)9(15)5-3-7(14)12(17)18-11(5)10(4)16/h3,14-16H,1-2H2",O=C1CCc2c1c(O)c1cc(O)c(=O)oc1c2O,C12H8O6,pos_1_1proton1isopropanol,248.032087976,IKXFGEKULKZDCJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,3,7.5 5522,1520,312,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,MOEVEIGHSLNJAI-RRXMTBKISA-N,"InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,21,23,25-29H,2,8,12-19H2,1,3-7H3/b10-9+/t21-,23+,25+,26+,27-,28+,29+,30+,31-/m1/s1",C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)CC,C31H48O2,pos_1_minus1proton1iron,452.365430776,MOEVEIGHSLNJAI,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 5523,1519,208,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.62753737,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.010149478912354 5524,1517,-1,,,,0.421923,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],4,0,5.687692046165466 5525,1517,-1,,,,0.421923,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper sintenense,5478628.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sintenense'],4,0,5.687692046165466 5526,1517,-1,,,,0.421923,ISDB,BBRMJCAPNGJKEM-UHFFFAOYSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)",CCCCCCCC=CC=CC(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,0,5.687692046165466 5527,1517,-1,,,,0.421923,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper peepuloides,6031282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper peepuloides'],4,0,5.687692046165466 5528,1517,-1,,,,0.421923,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,0,5.687692046165466 5529,1517,-1,,,,0.421923,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Leucocyclus formosus,616330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Leucocyclus'],['Leucocyclus formosus'],4,0,5.687692046165466 5530,1517,-1,,,,0.421923,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper formosum,6030745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper formosum'],4,0,5.687692046165466 5531,1517,-1,,,,0.421923,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Anacyclus pyrethrum,531427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Anacyclus'],['Anacyclus pyrethrum'],4,0,5.687692046165466 5532,1517,-1,,,,0.421923,ISDB,BBRMJCAPNGJKEM-UHFFFAOYSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)",CCCCCCCC=CC=CC(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,0,5.687692046165466 5533,1517,-1,,,,0.421923,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,0,5.687692046165466 5534,1517,-1,,,,0.421923,ISDB,BBRMJCAPNGJKEM-UHFFFAOYSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)",CCCCCCCC=CC=CC(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],4,0,5.687692046165466 5535,1517,-1,,,,0.421923,ISDB,BBRMJCAPNGJKEM-UHFFFAOYSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)",CCCCCCCC=CC=CC(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Echinacea angustifolia,618371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea angustifolia'],4,0,5.687692046165466 5536,1517,-1,,,,0.421923,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Echinacea pallida,608924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea pallida'],4,0,5.687692046165466 5537,1516,-1,,,,0.22296704,ISDB,OIYMSAOAFKGCMV-QSAVFGIQSA-N,"InChI=1S/C28H40O3/c1-18(29)31-24-16-23-25(2,3)12-7-13-27(23,5)22-10-14-26(4)20(19-11-15-30-17-19)8-9-21(26)28(22,24)6/h7,11,13,15,17,20-24H,8-10,12,14,16H2,1-6H3/t20-,21-,22-,23+,24-,26-,27-,28+/m1/s1",CC(=O)O[C@@H]1C[C@H]2C(C)(C)CC=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](c4ccoc4)CC[C@H]3[C@@]21C,C28H40O3,,424.29774514,OIYMSAOAFKGCMV,Terpenoids,Triterpenoids,Limonoids,Ekebergia capensis,481694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Ekebergia'],['Ekebergia capensis'],4,0,4.89186817407608 5538,1516,-1,,,,0.22296704,ISDB,OIYMSAOAFKGCMV-QSAVFGIQSA-N,"InChI=1S/C28H40O3/c1-18(29)31-24-16-23-25(2,3)12-7-13-27(23,5)22-10-14-26(4)20(19-11-15-30-17-19)8-9-21(26)28(22,24)6/h7,11,13,15,17,20-24H,8-10,12,14,16H2,1-6H3/t20-,21-,22-,23+,24-,26-,27-,28+/m1/s1",CC(=O)O[C@@H]1C[C@H]2C(C)(C)CC=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](c4ccoc4)CC[C@H]3[C@@]21C,C28H40O3,,424.29774514,OIYMSAOAFKGCMV,Terpenoids,Triterpenoids,Limonoids,Bergia capensis,5922089.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Elatinaceae'],['Unknown'],['Bergia'],['Bergia capensis'],4,0,4.89186817407608 5539,1515,-1,,,,0.0,MS1_match,QOEHNLSDMADWEF-UHFFFAOYSA-N,"InChI=1S/C32H66O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33/h33H,2-32H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO,C32H66O,pos_1_1proton2acetonitrile,466.511366732,QOEHNLSDMADWEF,Fatty acids,Fatty acyls,Fatty alcohols,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 5540,1513,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1sodium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 5541,1513,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1sodium,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 5542,1513,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 5543,1513,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1sodium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 5544,1513,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 5545,1508,-1,,,,0.0,MS1_match,RXKJUJBLHWQKCA-ZIEFYORRSA-N,"InChI=1S/C14H16O6/c15-9-3-1-8(7-11(9)17)2-6-13(18)20-12-5-4-10(16)14(12)19/h1-3,6-7,10,12,14-17,19H,4-5H2/b6-2+/t10-,12-,14-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC[C@@H](O)[C@H]1O,C14H16O6,pos_1_1sodium,280.094688232,RXKJUJBLHWQKCA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 5546,1508,-1,,,,0.0,MS1_match,XYGMVEGBGQSULF-RQEVDEIRSA-N,"InChI=1S/C14H16O6/c15-9-3-1-8(7-12(9)18)2-6-13(19)20-14-10(16)4-5-11(14)17/h1-3,6-7,10-11,14-18H,4-5H2/b6-2+/t10-,11+,14?",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC[C@@H]1O,C14H16O6,pos_1_1sodium,280.094688232,XYGMVEGBGQSULF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 5547,1506,313,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WDKYDMULARNCIS-GQCTYLIASA-N,"InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+",CCOC(=O)/C=C/c1ccc(O)c(O)c1,C11H12O4,pos_2MH,208.073558864,WDKYDMULARNCIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,1,8.5 5548,1504,80,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,CBFCDTFDPHXCNY-UHFFFAOYSA-N,"InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3",CCCCCCCCCCCCCCCCCCCC,C20H42,pos_1_minus1proton2sodium,282.328651344,CBFCDTFDPHXCNY,Fatty acids,Fatty acyls,Hydrocarbons,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,3,9.5 5549,1503,-1,,,,0.0,MS1_match,NOQYJICHFNSIFZ-DIACKHNESA-N,"InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3/t9-,10-,11+,12-,14+/m1/s1",COc1cc(O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H20O9,pos_1_1potassium,332.11073221999993,NOQYJICHFNSIFZ,,,,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 5550,1503,-1,,,,0.0,MS1_match,NOQYJICHFNSIFZ-DIACKHNESA-N,"InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3/t9-,10-,11+,12-,14+/m1/s1",COc1cc(O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H20O9,pos_1_1potassium,332.11073221999993,NOQYJICHFNSIFZ,,,,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 5551,1502,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1methanol,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 5552,1498,937,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton1methanol,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 5553,1498,937,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton1methanol,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5554,1498,937,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton1methanol,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 5555,1496,-1,,,,0.0,MS1_match,VADSVXSGIFBZLI-UHFFFAOYSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3",C=CCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1,C16H22O7,pos_1_1proton1methanol,326.1365530439999,VADSVXSGIFBZLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],6,0,6.0 5556,1496,-1,,,,0.0,MS1_match,GOZCEKPKECLKNO-RKQHYHRCSA-N,"InChI=1S/C14H18O7/c1-7(16)8-2-4-9(5-3-8)20-14-13(19)12(18)11(17)10(6-15)21-14/h2-5,10-15,17-19H,6H2,1H3/t10-,11-,12+,13-,14-/m1/s1",CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C14H18O7,pos_1_1proton1isopropanol,298.105252916,GOZCEKPKECLKNO,,,,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],6,0,6.0 5557,1496,-1,,,,0.0,MS1_match,GOZCEKPKECLKNO-UHFFFAOYSA-N,"InChI=1S/C14H18O7/c1-7(16)8-2-4-9(5-3-8)20-14-13(19)12(18)11(17)10(6-15)21-14/h2-5,10-15,17-19H,6H2,1H3",CC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,C14H18O7,pos_1_1proton1isopropanol,298.105252916,GOZCEKPKECLKNO,,,,Vauquelinia,1023054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Vauquelinia'],['Unknown'],6,0,6.0 5558,1496,-1,,,,0.0,MS1_match,GOZCEKPKECLKNO-RKQHYHRCSA-N,"InChI=1S/C14H18O7/c1-7(16)8-2-4-9(5-3-8)20-14-13(19)12(18)11(17)10(6-15)21-14/h2-5,10-15,17-19H,6H2,1H3/t10-,11-,12+,13-,14-/m1/s1",CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C14H18O7,pos_1_1proton1isopropanol,298.105252916,GOZCEKPKECLKNO,,,,Vauquelinia corymbosa,1085086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Vauquelinia'],['Vauquelinia corymbosa'],6,0,6.0 5559,1496,-1,,,,0.0,MS1_match,WTTHPSZUSQNYFG-UWVGGRQHSA-N,"InChI=1S/C14H18O7/c1-6-4-8(7(2)15)13(18)11(12(6)17)9(16)5-10(21-3)14(19)20/h4,9-10,16-18H,5H2,1-3H3,(H,19,20)/t9-,10-/m0/s1",CO[C@@H](C[C@H](O)c1c(O)c(C)cc(C(C)=O)c1O)C(=O)O,C14H18O7,pos_1_1proton1isopropanol,298.105252916,WTTHPSZUSQNYFG,Polyketides,,,Sorbus globosa,3903414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus globosa'],6,0,6.0 5560,1495,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.7865037,ISDB,ZCCLDKGWJIREQF-PDBXOOCHSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,C21H36O4,,352.261359632,ZCCLDKGWJIREQF,Fatty acids,Glycerolipids,Monoacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,2,8.14601469039917 5561,1494,290,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.22897105,ISDB,VBYGVAYPZKNUEG-ZHOVTUGESA-N,"InChI=1S/C30H44O3/c1-18-7-8-21(33-25(18)32)19(2)20-11-13-28(6)23-10-9-22-26(3,4)24(31)12-14-29(22)17-30(23,29)16-15-27(20,28)5/h7,19-23H,8-17H2,1-6H3/t19-,20+,21+,22-,23-,27+,28-,29+,30-/m0/s1",CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)OC1=O,C30H44O3,,452.329045268,VBYGVAYPZKNUEG,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Kadsura philippinensis,5689596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Kadsura'],['Kadsura philippinensis'],4,3,6.41588419675827 5562,1493,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5165737,ISDB,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,11.56629490852356 5563,1493,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5165737,ISDB,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,11.56629490852356 5564,1493,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5165737,ISDB,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,11.56629490852356 5565,1492,468,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1sodium,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 5566,1491,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ammonium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 5567,1491,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ammonium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 5568,1491,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 5569,1491,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 5570,1491,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 5571,1491,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 5572,1489,511,,,,0.0,MS1_match,NVTNXPADRDASMP-PEXIWSMMSA-N,"InChI=1S/C17H30O10/c1-2-3-4-5-6-24-17-15(23)13(21)12(20)10(27-17)8-26-16-14(22)11(19)9(18)7-25-16/h3-4,9-23H,2,5-8H2,1H3/b4-3-/t9-,10-,11+,12-,13+,14-,15-,16+,17-/m1/s1",CC/C=C\CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C17H30O10,pos_1_1proton1ethylamine,394.18389716,NVTNXPADRDASMP,,,,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 5573,1487,522,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.292223,ISDB,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,11.66889202594757 5574,1486,712,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Anthocyanidins,0.0,MS1_match,KZMACGJDUUWFCH-UHFFFAOYSA-O,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(OC)c1O,C17H15O7+,pos_1_1sodium,331.08122924008995,KZMACGJDUUWFCH,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 5575,1484,-1,,,,0.0,MS1_match,WSHSQJSPOLYHLM-YMILTQATSA-N,"InChI=1S/C16H20O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h4-5,11,13-17,19-21H,2-3,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2c(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CC2,C16H20O9,pos_1_1proton1ethylamine,356.1107322199999,WSHSQJSPOLYHLM,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5576,1484,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ethylamine,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 5577,1484,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ethylamine,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 5578,1481,-1,,,,0.0,MS1_match,PCMORTLOPMLEFB-ONEGZZNKSA-N,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+",COc1cc(/C=C/C(=O)O)cc(OC)c1O,C11H12O5,pos_2MHCH3CN,224.068473484,PCMORTLOPMLEFB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 5579,1480,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.38646385,ISDB,MWEPRWWNHJVNMU-KNWYRSANSA-N,"InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-23(28)25(6)17-22(27)16-24(25,4)5/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,25-/m0/s1",C/C(C=O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C,C25H34O3,,382.250794948,MWEPRWWNHJVNMU,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,1,6.045855402946472 5580,1479,508,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,GDVRUDXLQBVIKP-UHFFFAOYSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2",O=C(OC1OC(CO)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton1acetonitrile,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5581,1479,508,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FUUSOIOWAGMHTM-HSQZMIOISA-N,"InChI=1S/C13H16O10/c14-3-6-9(18)10(19)11(20)13(22-6)23-12(21)4-1-2-5(15)8(17)7(4)16/h1-2,6,9-11,13-20H,3H2/t6-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)c(O)c1O,C13H16O10,pos_1_1proton1acetonitrile,332.074346712,FUUSOIOWAGMHTM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 5582,1477,286,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,STCAYONHVRVXOL-AZLQIUJGSA-N,"InChI=1S/C14H26O9/c1-17-9-7(15)5-22-14(12(9)20-4)23-8-6-21-13(16)11(19-3)10(8)18-2/h7-16H,5-6H2,1-4H3/t7-,8-,9+,10+,11-,12-,13-,14-/m1/s1",CO[C@@H]1[C@@H](OC)[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OC)[C@H]2OC)OC[C@H]1O,C14H26O9,pos_1_1proton1acetonitrile,338.157682412,STCAYONHVRVXOL,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 5583,1476,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ethylamine,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,6.0 5584,1476,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ethylamine,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,6.0 5585,1474,-1,,,,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1sodium,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 5586,1474,-1,,,,0.0,MS1_match,JGUZGNYPMHHYRK-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1,C16H12O7,pos_1_1sodium,316.058302724,JGUZGNYPMHHYRK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 5587,1473,182,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,NOOLISFMXDJSKH-UHFFFAOYSA-N,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",CC1CCC(C(C)C)C(O)C1,C10H20O,pos_2MHCH3CN,156.15141526,NOOLISFMXDJSKH,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 5588,1473,182,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,NOOLISFMXDJSKH-UHFFFAOYSA-N,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",CC1CCC(C(C)C)C(O)C1,C10H20O,pos_2MHCH3CN,156.15141526,NOOLISFMXDJSKH,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 5589,1472,-1,,,,0.23882568,ISDB,QTIDITTUVQRPIP-MAPUTHEBSA-N,"InChI=1S/C18H34O4/c1-6-9-16-14(8-3)12-18(4,22-16)11-13(7-2)15(19)10-17(20)21-5/h13-16,19H,6-12H2,1-5H3/t13-,14-,15-,16+,18-/m1/s1",CCC[C@@H]1O[C@](C)(C[C@@H](CC)[C@H](O)CC(=O)OC)C[C@H]1CC,C18H34O4,,314.245709568,QTIDITTUVQRPIP,Polyketides,Linear polyketides,Open-chain polyketides,Plakortis simplex,373945.0,['Eukaryota'],['Metazoa'],['Porifera'],['Homoscleromorpha'],['Homosclerophorida'],['Plakinidae'],['Unknown'],['Plakortis'],['Plakortis simplex'],0,0,0.9553027153015137 5590,1471,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,QPJVMBTYPHYUOC-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3",COC(=O)c1ccccc1,C8H8O2,pos_1_1proton,136.052429496,QPJVMBTYPHYUOC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5591,1469,-1,,,,0.0,MS1_match,GUBGYTABKSRVRQ-WFVLMXAXSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,C12H22O11,pos_1_1proton1ethylamine,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,0,7.0 5592,1469,-1,,,,0.0,MS1_match,GUBGYTABKSRVRQ-WFVLMXAXSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,C12H22O11,pos_1_1proton1ethylamine,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,0,7.0 5593,1469,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],7,0,7.0 5594,1469,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,0,7.0 5595,1469,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,0,7.0 5596,1469,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,0,7.0 5597,1469,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,0,7.0 5598,1469,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],7,0,7.0 5599,1468,-1,,,,0.46066982,ISDB,,,,,,,LVRBHOVCJIZYDY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8426792621612549 5600,1467,-1,,,,0.6764582,ISDB,KQDQXJXWFRWWFK-UMADGWCESA-N,"InChI=1S/C19H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-18(20)16-22-19(17)21/h14,18,20H,2-13,15-16H2,1H3/b17-14+/t18-/m0/s1",CCCCCCCCCCCCC/C=C1\C[C@H](O)COC1=O,C19H34O3,,310.250794948,KQDQXJXWFRWWFK,Polyketides,,,Persea major,123727.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea major'],4,0,6.7058327198028564 5601,1459,283,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5602,1459,283,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 5603,1459,283,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5604,1459,283,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5605,1459,283,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 5606,1459,283,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5607,1459,283,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5608,1458,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.0,MS1_match,JAZBEHYOTPTENJ-UHFFFAOYSA-N,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O,C20H30O2,pos_1_1proton1methanol,302.2245802,JAZBEHYOTPTENJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,3,8.5 5609,1454,-1,,,,0.0,MS1_match,XOUUATNSZMQFKV-UHFFFAOYSA-N,"InChI=1S/C26H35NO6/c1-14-13-25-9-6-17(14)12-18(25)26-8-5-7-24(4)20(26)19(32-16(3)29)21(25)33-23(26)27(22(24)30)10-11-31-15(2)28/h17-21,23H,1,5-13H2,2-4H3",C=C1CC23CCC1CC2C12CCCC4(C)C(=O)N(CCOC(C)=O)C1OC3C(OC(C)=O)C42,C26H35NO6,pos_1_1proton2acetonitrile,457.24643784,XOUUATNSZMQFKV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Spiraea japonica,785024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea japonica'],6,0,6.0 5610,1454,-1,,,,0.0,MS1_match,FYVSAFKZTFPIJW-AHMZIRKQSA-N,"InChI=1S/C26H35NO6/c1-14-13-25-9-6-17(14)12-18(25)26-8-5-7-24(4,22(30)27-10-11-31-23(26)27)20(26)19(32-15(2)28)21(25)33-16(3)29/h17-21,23H,1,5-13H2,2-4H3/t17-,18+,19-,20+,21+,23-,24+,25+,26+/m0/s1",C=C1C[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@](C)(C(=O)N4CCO[C@H]41)[C@H]2[C@H](OC(C)=O)[C@H]3OC(C)=O,C26H35NO6,pos_1_1proton2acetonitrile,457.24643784,FYVSAFKZTFPIJW,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Spiraea japonica,785024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea japonica'],6,0,6.0 5611,1452,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XSSDYIMYZONMBL-UHFFFAOYSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)",O=C(O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,C13H16O8,pos_1_1proton1ammonium,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,1,7.5 5612,1451,74,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,NABVFHUVYXEKSQ-ZBGLXGBJSA-N,"InChI=1S/C11H18O8/c1-5(2-3-12)10(16)18-4-6-7(13)8(14)9(15)11(17)19-6/h6-9,11-15,17H,1-4H2/t6-,7-,8+,9-,11-/m1/s1",C=C(CCO)C(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C11H18O8,pos_1_1sodium1acetonitrile,278.100167536,NABVFHUVYXEKSQ,,,,Spiraea thunbergii,882955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea thunbergii'],6,0,6.0 5613,1450,337,Shikimates and Phenylpropanoids,,,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1sodium,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,1,6.5 5614,1450,337,Shikimates and Phenylpropanoids,,,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1sodium,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,1,6.5 5615,1449,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IVKWSOPWPDHRMQ-YQUABMASSA-N,"InChI=1S/C31H28O14/c1-41-22-9-15(8-20(35)26(22)37)30-23(12-18-19(34)10-17(33)11-21(18)43-30)44-31-29(40)28(39)27(38)24(45-31)13-42-25(36)7-4-14-2-5-16(32)6-3-14/h2-12,24,27-29,31-33,35,37-40H,13H2,1H3/t24-,27-,28+,29-,31?/m1/s1",COc1cc(-c2oc3cc(O)cc(=O)c-3cc2OC2O[C@H](COC(=O)C=Cc3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1O,C31H28O14,pos_1_1proton,624.147905576,IVKWSOPWPDHRMQ,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,1,7.5 5616,1445,-1,,,,0.0,MS1_match,SMCYLHSXVDDYCA-UXTSAHMASA-N,"InChI=1S/C22H27NO3/c1-11-9-21-10-14(24)16-20(2)4-3-5-22(16)17(21)15(25)12(11)8-13(21)18(22)23-6-7-26-19(20)23/h12-13,16-19H,1,3-10H2,2H3/t12-,13?,16-,17-,18-,19?,20-,21+,22+/m1/s1",C=C1C[C@]23CC(=O)[C@H]4[C@]56CCC[C@@]4(C)C4OCCN4[C@@H]5C2C[C@H]1C(=O)[C@H]36,C22H27NO3,pos_2MMg,353.199093724,SMCYLHSXVDDYCA,Terpenoids,Diterpenoids,Atisane diterpenoids,Spiraea japonica,785024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea japonica'],6,0,6.0 5617,1442,-1,,,,0.0,MS1_match,PQQITYGQJLPDFC-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O8,pos_1_1potassium,316.1158176,PQQITYGQJLPDFC,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],6,0,6.0 5618,1442,-1,,,,0.0,MS1_match,PKNANBLYJZQXLC-GJZGRUSLSA-N,"InChI=1S/C17H16O7/c1-22-16-10(19)7-11-12(17(16)23-2)13(20)14(21)15(24-11)8-3-5-9(18)6-4-8/h3-7,14-15,18-19,21H,1-2H3/t14-,15-/m0/s1",COc1c(O)cc2c(c1OC)C(=O)[C@H](O)[C@H](c1ccc(O)cc1)O2,C17H16O7,pos_1_1sodium,332.089602852,PKNANBLYJZQXLC,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Adenostoma sparsifolium,833577.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sorbarieae'],['Adenostoma'],['Adenostoma sparsifolium'],6,0,6.0 5619,1442,-1,,,,0.0,MS1_match,KALYBGCOEHEKGT-GJZGRUSLSA-N,"InChI=1S/C17H16O7/c1-22-9-5-3-8(4-6-9)15-14(21)13(20)12-10(18)7-11(19)16(23-2)17(12)24-15/h3-7,14-15,18-19,21H,1-2H3/t14-,15-/m0/s1",COc1ccc([C@@H]2Oc3c(OC)c(O)cc(O)c3C(=O)[C@@H]2O)cc1,C17H16O7,pos_1_1sodium,332.089602852,KALYBGCOEHEKGT,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 5620,1442,-1,,,,0.0,MS1_match,MEROIHPPFMVPPD-HOTGVXAUSA-N,"InChI=1S/C17H16O7/c1-22-9-5-3-8(4-6-9)16-15(21)13(19)12-11(24-16)7-10(18)17(23-2)14(12)20/h3-7,15-16,18,20-21H,1-2H3/t15-,16-/m0/s1",COc1ccc([C@@H]2Oc3cc(O)c(OC)c(O)c3C(=O)[C@@H]2O)cc1,C17H16O7,pos_1_1sodium,332.089602852,MEROIHPPFMVPPD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 5621,1437,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,OXVUXGFZHDKYLS-BLIWDXROSA-N,"InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O5,pos_1_1sodium,488.3501746359999,OXVUXGFZHDKYLS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 5622,1437,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,OXVUXGFZHDKYLS-BLIWDXROSA-N,"InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O5,pos_1_1sodium,488.3501746359999,OXVUXGFZHDKYLS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 5623,1437,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,OXVUXGFZHDKYLS-BLIWDXROSA-N,"InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O5,pos_1_1sodium,488.3501746359999,OXVUXGFZHDKYLS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 5624,1437,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,OXVUXGFZHDKYLS-BLIWDXROSA-N,"InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O5,pos_1_1sodium,488.3501746359999,OXVUXGFZHDKYLS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 5625,1437,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,OXVUXGFZHDKYLS-BLIWDXROSA-N,"InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O5,pos_1_1sodium,488.3501746359999,OXVUXGFZHDKYLS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 5626,1437,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5627,1437,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5628,1437,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 5629,1437,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 5630,1437,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,3,9.5 5631,1437,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 5632,1437,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,OXVUXGFZHDKYLS-BLIWDXROSA-N,"InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O5,pos_1_1sodium,488.3501746359999,OXVUXGFZHDKYLS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 5633,1437,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5634,1437,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 5635,1437,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 5636,1437,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,3,9.5 5637,1437,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 5638,1437,219,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_1sodium,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5639,1436,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.3880184,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],8,3,11.05207359790802 5640,1436,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.3880184,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,11.05207359790802 5641,1436,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.3880184,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,11.05207359790802 5642,1436,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.3880184,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,11.05207359790802 5643,1436,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.3880184,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,11.05207359790802 5644,1436,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.3880184,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,11.05207359790802 5645,1436,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.3880184,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,11.05207359790802 5646,1436,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.3880184,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,11.05207359790802 5647,1432,-1,,,,0.22272208,ISDB,IQBNPOCCTRIDCK-IMSYWVGJSA-N,"InChI=1S/C11H20O4/c1-3-8(12)6-9-4-5-10(13)7(2)11(14)15-9/h7-10,12-13H,3-6H2,1-2H3/t7-,8-,9+,10+/m1/s1",CC[C@@H](O)C[C@@H]1CC[C@H](O)[C@@H](C)C(=O)O1,C11H20O4,,216.13615912,IQBNPOCCTRIDCK,Polyketides,Macrolides,Macrolide lactones,Streptomyces griseus,623861.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces griseus'],0,0,0.8908883333206177 5648,1429,191,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1proton1ethylamine,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,1,6.5 5649,1429,191,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1proton1ethylamine,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,1,6.5 5650,1429,191,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,0.0,MS1_match,REFBLEJUPUPWLM-UHFFFAOYSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,59,61H,1,14-25,27H2,2-12H3",C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)C(C(=O)OC)C=4C3=NC(=C2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(CC)=C1C,C55H74N4O5,pos_2_2proton,870.565921468,REFBLEJUPUPWLM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Fragaria vesca,852873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria vesca'],6,1,6.5 5651,1427,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.32346755,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,10.793870210647583 5652,1427,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.32346755,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,10.793870210647583 5653,1427,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.32346755,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],8,3,10.793870210647583 5654,1424,-1,,,,0.0,MS1_match,GLDOVTGHNKAZLK-UHFFFAOYSA-N,"InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3",CCCCCCCCCCCCCCCCCCO,C18H38O,pos_1_1proton1acetonitrile,270.292265836,GLDOVTGHNKAZLK,Fatty acids,Fatty acyls,Fatty alcohols,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 5655,1422,-1,,,,0.0,MS1_match,UFWIBTONFRDIAS-UHFFFAOYSA-N,InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,c1ccc2ccccc2c1,C10H8,pos_1_1proton1isopropanol,128.062600256,UFWIBTONFRDIAS,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 5656,1421,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 5657,1421,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 5658,1421,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 5659,1421,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 5660,1421,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 5661,1421,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 5662,1421,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 5663,1421,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 5664,1421,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 5665,1421,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 5666,1421,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 5667,1421,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_2_2sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 5668,1418,73,Terpenoids,Steroids,Cholestane steroids,0.32235733,ISDB,AMMKCVYTIVZBCS-UHFFFAOYSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h15-16,18-24,29H,7-14,17H2,1-6H3",CC(C)C(C)CCC(C)C1CCC2C1(C)CCC1C23C=CC2(CC(O)CCC12C)OO3,C28H46O3,,430.344695332,AMMKCVYTIVZBCS,Terpenoids,Steroids,Cholestane steroids,Helianthus tuberosus,515709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus tuberosus'],4,3,6.789429306983948 5669,1418,73,Terpenoids,Steroids,Cholestane steroids,0.32235733,ISDB,AMMKCVYTIVZBCS-XFRWUBLRSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h15-16,18-24,29H,7-14,17H2,1-6H3/t19-,20-,21+,22-,23-,24-,25-,26-,27-,28+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3,C28H46O3,,430.344695332,AMMKCVYTIVZBCS,Terpenoids,Steroids,Cholestane steroids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,6.789429306983948 5670,1415,-1,,,,0.0,MS1_match,DTJLOZXIIDPIFA-OUOAPTIVSA-N,"InChI=1S/C16H22O9/c1-24-13-6-9(2-4-10(13)18)3-5-14(21)25-8-12(20)16(23)15(22)11(19)7-17/h2-6,11-12,15-20,22-23H,7-8H2,1H3/b5-3+/t11-,12+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H22O9,pos_1_1proton1ethylamine,358.126382284,DTJLOZXIIDPIFA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sibiraea angustata,1004734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Sibiraea'],['Sibiraea angustata'],6,0,6.0 5671,1415,-1,,,,0.0,MS1_match,GWQDOJFHKGUWPV-UXFCLIIPSA-N,"InChI=1S/C16H22O9/c1-6-2-3-7-8(5-23-15(22)10(6)7)14(21)25-16-13(20)12(19)11(18)9(4-17)24-16/h7-9,11-13,16-20H,2-5H2,1H3/t7-,8+,9+,11+,12-,13+,16-/m0/s1",CC1=C2C(=O)OC[C@@H](C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2CC1,C16H22O9,pos_1_1proton1ethylamine,358.126382284,GWQDOJFHKGUWPV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 5672,1413,74,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,PEFNSGRTCBGNAN-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,3,9.5 5673,1413,74,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,PEFNSGRTCBGNAN-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,3,9.5 5674,1413,74,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,PZKISQRTNNHUGF-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-14-16(27)17(28)18(29)21(31-14)32-19-12(26)5-10(24)15-11(25)6-13(30-20(15)19)8-1-3-9(23)4-2-8/h1-6,14,16-18,21-24,26-29H,7H2",O=c1cc(-c2ccc(O)cc2)oc2c(OC3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,PZKISQRTNNHUGF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,3,9.5 5675,1413,74,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,PZKISQRTNNHUGF-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-14-16(27)17(28)18(29)21(31-14)32-19-12(26)5-10(24)15-11(25)6-13(30-20(15)19)8-1-3-9(23)4-2-8/h1-6,14,16-18,21-24,26-29H,7H2",O=c1cc(-c2ccc(O)cc2)oc2c(OC3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,PZKISQRTNNHUGF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,3,9.5 5676,1412,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.3487103,ISDB,GWCPBEMISACTHQ-AWEZNQCLSA-N,"InChI=1S/C15H14O5/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8/h1,3,5-7,14,16-19H,2,4H2/t14-/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)CC2,C15H14O5,,274.084123548,GWCPBEMISACTHQ,Shikimates and Phenylpropanoids,Flavonoids,Flavans,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,11.394841194152832 5677,1410,742,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5678,1410,742,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5679,1408,262,Polyketides,Linear polyketides,Acetogenins,0.3168676,ISDB,KRQUGYHEWIVMJV-RZPXKCGYSA-N,"InChI=1S/C37H64O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-14-16-19-22-25-32-30-31(2)39-37(32)38/h17,20,30-31,33-36H,3-16,18-19,21-29H2,1-2H3/b20-17-/t31-,33-,34-,35-,36-/m1/s1",CCCCCCCCCCCC/C=C\CC[C@H]1O[C@@H]1CC[C@H]1O[C@@H]1CCCCCCCCCCC1=C[C@@H](C)OC1=O,C37H64O4,,572.480460528,KRQUGYHEWIVMJV,Polyketides,Linear polyketides,Acetogenins,Annona muricata,303957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona muricata'],4,3,6.767470359802246 5680,1406,-1,,,,0.567591,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,11.270364046096802 5681,1405,373,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,PHMKDBZGQWXPAZ-MZFJGDBOSA-N,"InChI=1S/C30H50O3/c1-19(2)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h20-25,31-33H,1,7-18H2,2-6H3/t20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O3,pos_1_1proton1ammonium,458.37599546,PHMKDBZGQWXPAZ,Terpenoids,Triterpenoids,Lupane triterpenoids,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 5682,1405,373,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,PHMKDBZGQWXPAZ-MZFJGDBOSA-N,"InChI=1S/C30H50O3/c1-19(2)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h20-25,31-33H,1,7-18H2,2-6H3/t20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O3,pos_1_1proton1ammonium,458.37599546,PHMKDBZGQWXPAZ,Terpenoids,Triterpenoids,Lupane triterpenoids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 5683,1405,373,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,PHMKDBZGQWXPAZ-MZFJGDBOSA-N,"InChI=1S/C30H50O3/c1-19(2)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h20-25,31-33H,1,7-18H2,2-6H3/t20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O3,pos_1_1proton1ammonium,458.37599546,PHMKDBZGQWXPAZ,Terpenoids,Triterpenoids,Lupane triterpenoids,Sorbus decora,426112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus decora'],6,3,7.5 5684,1404,-1,,,,0.71023303,ISDB,DTOSIQBPPRVQHS-UHFFFAOYSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)",CCC=CCC=CCC=CCCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,10.840932130813599 5685,1404,-1,,,,0.71023303,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,10.840932130813599 5686,1401,-1,,,,0.0,MS1_match,MQYXUWHLBZFQQO-QGTGJCAVSA-N,"InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O,pos_1_minus1proton1magnesium,426.3861662199999,MQYXUWHLBZFQQO,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus pensylvanica,180915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus pensylvanica'],8,0,8.0 5687,1401,-1,,,,0.0,MS1_match,FSLPMRQHCOLESF-SFMCKYFRSA-N,"InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H50O,pos_1_minus1proton1magnesium,426.38616622,FSLPMRQHCOLESF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus pensylvanica,180915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus pensylvanica'],8,0,8.0 5688,1401,-1,,,,0.0,MS1_match,JFSHUTJDVKUMTJ-QHPUVITPSA-N,"InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H50O,pos_1_minus1proton1magnesium,426.3861662199999,JFSHUTJDVKUMTJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus pensylvanica,180915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus pensylvanica'],8,0,8.0 5689,1401,-1,,,,0.0,MS1_match,OFMXGFHWLZPCFL-SVRPQWSVSA-N,"InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1",C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C,C30H50O,pos_1_minus1proton1magnesium,426.38616622,OFMXGFHWLZPCFL,Terpenoids,Triterpenoids,Friedelane triterpenoids,Prunus pensylvanica,180915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus pensylvanica'],8,0,8.0 5690,1401,-1,,,,0.0,MS1_match,JFSHUTJDVKUMTJ-QHPUVITPSA-N,"InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H50O,pos_1_minus1proton1magnesium,426.3861662199999,JFSHUTJDVKUMTJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus pensylvanica,180915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus pensylvanica'],8,0,8.0 5691,1401,-1,,,,0.0,MS1_match,FSLPMRQHCOLESF-SFMCKYFRSA-N,"InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H50O,pos_1_minus1proton1magnesium,426.38616622,FSLPMRQHCOLESF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus pensylvanica,180915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus pensylvanica'],8,0,8.0 5692,1401,-1,,,,0.0,MS1_match,OFMXGFHWLZPCFL-SVRPQWSVSA-N,"InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1",C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C,C30H50O,pos_1_minus1proton1magnesium,426.38616622,OFMXGFHWLZPCFL,Terpenoids,Triterpenoids,Friedelane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 5693,1401,-1,,,,0.0,MS1_match,MQYXUWHLBZFQQO-QGTGJCAVSA-N,"InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O,pos_1_minus1proton1magnesium,426.3861662199999,MQYXUWHLBZFQQO,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus pensylvanica,180915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus pensylvanica'],8,0,8.0 5694,1399,-1,,,,0.0,MS1_match,WHRWRZSKZMYJOX-SKIQXMCSSA-N,"InChI=1S/C18H28O10/c1-9(5-3-4-6-10(2)17(25)26)11(7-13(20)21)27-18-16(24)15(23)14(22)12(8-19)28-18/h3-4,6,9,11-12,14-16,18-19,22-24H,5,7-8H2,1-2H3,(H,20,21)(H,25,26)/b4-3+,10-6-/t9-,11+,12-,14-,15+,16-,18-/m1/s1",C/C(=C/C=C/C[C@@H](C)[C@H](CC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O,C18H28O10,pos_1_1potassium,404.1682470959999,WHRWRZSKZMYJOX,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 5695,1399,-1,,,,0.0,MS1_match,WHRWRZSKZMYJOX-SKIQXMCSSA-N,"InChI=1S/C18H28O10/c1-9(5-3-4-6-10(2)17(25)26)11(7-13(20)21)27-18-16(24)15(23)14(22)12(8-19)28-18/h3-4,6,9,11-12,14-16,18-19,22-24H,5,7-8H2,1-2H3,(H,20,21)(H,25,26)/b4-3+,10-6-/t9-,11+,12-,14-,15+,16-,18-/m1/s1",C/C(=C/C=C/C[C@@H](C)[C@H](CC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O,C18H28O10,pos_1_1potassium,404.1682470959999,WHRWRZSKZMYJOX,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 5696,1399,-1,,,,0.0,MS1_match,WHRWRZSKZMYJOX-SKIQXMCSSA-N,"InChI=1S/C18H28O10/c1-9(5-3-4-6-10(2)17(25)26)11(7-13(20)21)27-18-16(24)15(23)14(22)12(8-19)28-18/h3-4,6,9,11-12,14-16,18-19,22-24H,5,7-8H2,1-2H3,(H,20,21)(H,25,26)/b4-3+,10-6-/t9-,11+,12-,14-,15+,16-,18-/m1/s1",C/C(=C/C=C/C[C@@H](C)[C@H](CC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O,C18H28O10,pos_1_1potassium,404.1682470959999,WHRWRZSKZMYJOX,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 5697,1399,-1,,,,0.0,MS1_match,WHRWRZSKZMYJOX-SKIQXMCSSA-N,"InChI=1S/C18H28O10/c1-9(5-3-4-6-10(2)17(25)26)11(7-13(20)21)27-18-16(24)15(23)14(22)12(8-19)28-18/h3-4,6,9,11-12,14-16,18-19,22-24H,5,7-8H2,1-2H3,(H,20,21)(H,25,26)/b4-3+,10-6-/t9-,11+,12-,14-,15+,16-,18-/m1/s1",C/C(=C/C=C/C[C@@H](C)[C@H](CC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O,C18H28O10,pos_1_1potassium,404.1682470959999,WHRWRZSKZMYJOX,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 5698,1399,-1,,,,0.0,MS1_match,JWAGJGCOOSEMAU-KEVOZXHESA-N,"InChI=1S/C18H28O10/c1-9(11(20)7-13(21)22)5-3-4-6-10(2)17(26)28-18-16(25)15(24)14(23)12(8-19)27-18/h3-4,6,9,11-12,14-16,18-20,23-25H,5,7-8H2,1-2H3,(H,21,22)/b4-3+,10-6+/t9-,11-,12-,14-,15+,16-,18+/m1/s1",C/C(=C\C=C\C[C@@H](C)[C@H](O)CC(=O)O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H28O10,pos_1_1potassium,404.168247096,JWAGJGCOOSEMAU,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 5699,1399,-1,,,,0.0,MS1_match,JWAGJGCOOSEMAU-KEVOZXHESA-N,"InChI=1S/C18H28O10/c1-9(11(20)7-13(21)22)5-3-4-6-10(2)17(26)28-18-16(25)15(24)14(23)12(8-19)27-18/h3-4,6,9,11-12,14-16,18-20,23-25H,5,7-8H2,1-2H3,(H,21,22)/b4-3+,10-6+/t9-,11-,12-,14-,15+,16-,18+/m1/s1",C/C(=C\C=C\C[C@@H](C)[C@H](O)CC(=O)O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H28O10,pos_1_1potassium,404.168247096,JWAGJGCOOSEMAU,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 5700,1398,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,IKXFGEKULKZDCJ-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8(6)9(15)5-3-7(14)12(17)18-11(5)10(4)16/h3,14-16H,1-2H2",O=C1CCc2c1c(O)c1cc(O)c(=O)oc1c2O,C12H8O6,pos_1_1proton1isopropanol,248.032087976,IKXFGEKULKZDCJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,1,6.5 5701,1397,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1potassium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Crataegus microphylla,3903788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus microphylla'],6,0,6.0 5702,1397,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1potassium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],6,0,6.0 5703,1397,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1potassium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus triloba,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],6,0,6.0 5704,1397,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1potassium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus ulmifolia,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],6,0,6.0 5705,1397,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1potassium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],6,0,6.0 5706,1397,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1potassium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],6,0,6.0 5707,1397,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1potassium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,0,6.0 5708,1397,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1potassium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 5709,1397,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1potassium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],6,0,6.0 5710,1397,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1potassium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],6,0,6.0 5711,1397,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1potassium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 5712,1397,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1potassium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],6,0,6.0 5713,1397,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1potassium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 5714,1397,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1potassium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Rubus phoenicolasius,96561.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus phoenicolasius'],6,0,6.0 5715,1397,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1potassium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],6,0,6.0 5716,1397,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1potassium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 5717,1397,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1potassium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],6,0,6.0 5718,1397,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1potassium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],6,0,6.0 5719,1397,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1potassium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],6,0,6.0 5720,1397,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1potassium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],6,0,6.0 5721,1397,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1potassium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],6,0,6.0 5722,1397,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1potassium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 5723,1397,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1potassium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Luetkea pectinata,32528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Luetkea'],['Luetkea pectinata'],6,0,6.0 5724,1397,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1potassium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,0,6.0 5725,1397,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1potassium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,0,6.0 5726,1397,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1potassium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,0,6.0 5727,1397,-1,,,,0.0,MS1_match,XVXXIRQXOYAJAF-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-7-1-2-10(18)9(3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2cc(O)ccc2O)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1potassium,288.063388104,XVXXIRQXOYAJAF,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,0,6.0 5728,1396,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 5729,1396,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5730,1395,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],8,3,9.5 5731,1395,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus triloba,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,3,9.5 5732,1395,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus ulmifolia,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,3,9.5 5733,1395,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 5734,1395,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 5735,1395,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5736,1395,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 5737,1395,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 5738,1395,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5739,1395,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5740,1390,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4315683,ISDB,VMYXUZSZMNBRCN-CQSZACIVSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1",CC(C)=CCC[C@@H](C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],5,3,8.22627317905426 5741,1390,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4315683,ISDB,VMYXUZSZMNBRCN-AWEZNQCLSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m0/s1",CC(C)=CCC[C@H](C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],5,3,8.22627317905426 5742,1387,656,Shikimates and Phenylpropanoids,Stilbenoids,Chalcones,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,2,9.0 5743,1384,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 5744,1384,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 5745,1384,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 5746,1384,384,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 5747,1381,-1,,,,0.0,MS1_match,LWBHKKLWSUFUNZ-UHFFFAOYSA-N,"InChI=1S/C17H16O6/c1-21-10-6-12(19)17-13(20)8-15(23-16(17)7-10)9-3-4-14(22-2)11(18)5-9/h3-7,15,18-19H,8H2,1-2H3",COc1cc(O)c2c(c1)OC(c1ccc(OC)c(O)c1)CC2=O,C17H16O6,pos_1_1proton1ammonium,316.09468823199995,LWBHKKLWSUFUNZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 5748,1381,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],6,0,6.0 5749,1381,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus triloba,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],6,0,6.0 5750,1381,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus ulmifolia,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],6,0,6.0 5751,1381,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],6,0,6.0 5752,1381,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],6,0,6.0 5753,1381,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,0,6.0 5754,1381,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 5755,1381,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],6,0,6.0 5756,1381,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],6,0,6.0 5757,1381,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 5758,1381,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],6,0,6.0 5759,1381,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Rubus phoenicolasius,96561.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus phoenicolasius'],6,0,6.0 5760,1381,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 5761,1381,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,0,6.0 5762,1381,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 5763,1381,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],6,0,6.0 5764,1381,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],6,0,6.0 5765,1381,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],6,0,6.0 5766,1381,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],6,0,6.0 5767,1381,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],6,0,6.0 5768,1381,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 5769,1381,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Luetkea pectinata,32528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Luetkea'],['Luetkea pectinata'],6,0,6.0 5770,1381,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,0,6.0 5771,1381,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,0,6.0 5772,1381,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Crataegus microphylla,3903788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus microphylla'],6,0,6.0 5773,1381,-1,,,,0.0,MS1_match,LWBHKKLWSUFUNZ-UHFFFAOYSA-N,"InChI=1S/C17H16O6/c1-21-10-6-12(19)17-13(20)8-15(23-16(17)7-10)9-3-4-14(22-2)11(18)5-9/h3-7,15,18-19H,8H2,1-2H3",COc1cc(O)c2c(c1)OC(c1ccc(OC)c(O)c1)CC2=O,C17H16O6,pos_1_1proton1ammonium,316.09468823199995,LWBHKKLWSUFUNZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 5774,1381,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],6,0,6.0 5775,1381,-1,,,,0.0,MS1_match,XVXXIRQXOYAJAF-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-7-1-2-10(18)9(3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2cc(O)ccc2O)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,XVXXIRQXOYAJAF,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,0,6.0 5776,1380,-1,,,,0.0,MS1_match,ADYXLPOPBKTEGQ-XCOQKUFESA-N,"InChI=1S/C36H52O4/c1-23(2)10-7-11-24(3)12-8-13-25(4)14-9-15-30-20-21-31-34-32(28-16-18-29(37)19-17-28)22-33(38)40-36(34)27(6)26(5)35(31)39-30/h16-19,23-25,30,32,37H,7-15,20-22H2,1-6H3/t24-,25-,30-,32-/m1/s1",Cc1c(C)c2c(c3c1O[C@H](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC3)[C@@H](c1ccc(O)cc1)CC(=O)O2,C36H52O4,pos_2MMg,548.386560144,ADYXLPOPBKTEGQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 5777,1379,435,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MXKKFADFYXJREN-JXCVSLFXSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 5778,1379,435,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MXKKFADFYXJREN-JXCVSLFXSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 5779,1379,435,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MXKKFADFYXJREN-LQBIBLAPSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@]23Oc4cc(O)cc(O)c4[C@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5780,1379,435,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MXKKFADFYXJREN-LQBIBLAPSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@]23Oc4cc(O)cc(O)c4[C@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5781,1379,435,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MXKKFADFYXJREN-JXCVSLFXSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 5782,1379,435,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MXKKFADFYXJREN-JXCVSLFXSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus jacquemontii,307268.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus jacquemontii'],8,3,9.5 5783,1379,435,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MXKKFADFYXJREN-JXCVSLFXSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 5784,1379,435,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MXKKFADFYXJREN-JXCVSLFXSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus jacquemontii,307268.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus jacquemontii'],8,3,9.5 5785,1379,435,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,XYEGSUHAUOGTBV-OUECKCITSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(41-30)26(24-20(36)8-15(32)9-23(24)40-30)25-21(37)11-18(34)16-10-22(38)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,22,26-27,29,31-38H,10H2/t22-,26+,27-,29+,30+/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(O)cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)[C@@H]2O3)cc1,C30H24O11,pos_1_1proton,560.1318615879998,XYEGSUHAUOGTBV,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 5786,1379,435,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MXKKFADFYXJREN-LQBIBLAPSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@]23Oc4cc(O)cc(O)c4[C@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5787,1379,435,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MXKKFADFYXJREN-JXCVSLFXSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 5788,1379,435,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MXKKFADFYXJREN-JXCVSLFXSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus jacquemontii,307268.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus jacquemontii'],8,3,9.5 5789,1379,435,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MXKKFADFYXJREN-JXCVSLFXSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27-,29+,30-/m1/s1",Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 5790,1379,435,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MXKKFADFYXJREN-LQBIBLAPSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@]23Oc4cc(O)cc(O)c4[C@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5791,1379,435,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MXKKFADFYXJREN-LQBIBLAPSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@]23Oc4cc(O)cc(O)c4[C@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5792,1379,435,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MXKKFADFYXJREN-LQBIBLAPSA-N,"InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27+,29-,30-/m0/s1",Oc1ccc([C@]23Oc4cc(O)cc(O)c4[C@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@@H](O)C5)O2)[C@@H]3O)cc1,C30H24O11,pos_1_1proton,560.131861588,MXKKFADFYXJREN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5793,1378,143,Fatty acids,Fatty amides,Primary amides,0.6414054,ISDB,LYRFLYHAGKPMFH-UHFFFAOYSA-N,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",CCCCCCCCCCCCCCCCCC(N)=O,C18H37NO,,283.287514804,LYRFLYHAGKPMFH,Fatty acids,Fatty amides,Primary amides,Annona glabra,209798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona glabra'],4,3,8.065621614456177 5794,1377,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 5795,1377,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5796,1375,196,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 5797,1375,196,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 5798,1375,196,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 5799,1375,196,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 5800,1375,196,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 5801,1375,196,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus ulmifolia,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,3,9.5 5802,1375,196,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus triloba,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,3,9.5 5803,1375,196,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],8,3,9.5 5804,1375,196,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 5805,1375,196,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 5806,1373,577,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1ammonium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 5807,1373,577,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1ammonium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 5808,1371,683,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PKNANBLYJZQXLC-GJZGRUSLSA-N,"InChI=1S/C17H16O7/c1-22-16-10(19)7-11-12(17(16)23-2)13(20)14(21)15(24-11)8-3-5-9(18)6-4-8/h3-7,14-15,18-19,21H,1-2H3/t14-,15-/m0/s1",COc1c(O)cc2c(c1OC)C(=O)[C@H](O)[C@H](c1ccc(O)cc1)O2,C17H16O7,pos_1_1sodium,332.089602852,PKNANBLYJZQXLC,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Adenostoma sparsifolium,833577.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sorbarieae'],['Adenostoma'],['Adenostoma sparsifolium'],6,3,7.5 5809,1371,683,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,KALYBGCOEHEKGT-GJZGRUSLSA-N,"InChI=1S/C17H16O7/c1-22-9-5-3-8(4-6-9)15-14(21)13(20)12-10(18)7-11(19)16(23-2)17(12)24-15/h3-7,14-15,18-19,21H,1-2H3/t14-,15-/m0/s1",COc1ccc([C@@H]2Oc3c(OC)c(O)cc(O)c3C(=O)[C@@H]2O)cc1,C17H16O7,pos_1_1sodium,332.089602852,KALYBGCOEHEKGT,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 5810,1371,683,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,MEROIHPPFMVPPD-HOTGVXAUSA-N,"InChI=1S/C17H16O7/c1-22-9-5-3-8(4-6-9)16-15(21)13(19)12-11(24-16)7-10(18)17(23-2)14(12)20/h3-7,15-16,18,20-21H,1-2H3/t15-,16-/m0/s1",COc1ccc([C@@H]2Oc3cc(O)c(OC)c(O)c3C(=O)[C@@H]2O)cc1,C17H16O7,pos_1_1sodium,332.089602852,MEROIHPPFMVPPD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 5811,1370,-1,,,,0.48649448,ISDB,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,9.945977926254272 5812,1370,-1,,,,0.48649448,ISDB,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,9.945977926254272 5813,1370,-1,,,,0.48649448,ISDB,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,9.945977926254272 5814,1370,-1,,,,0.48649448,ISDB,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,9.945977926254272 5815,1370,-1,,,,0.48649448,ISDB,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,9.945977926254272 5816,1370,-1,,,,0.48649448,ISDB,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,9.945977926254272 5817,1370,-1,,,,0.48649448,ISDB,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,9.945977926254272 5818,1370,-1,,,,0.48649448,ISDB,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,9.945977926254272 5819,1366,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1proton1ammonium,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,1,6.5 5820,1366,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1proton1ammonium,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,1,6.5 5821,1363,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 5822,1363,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 5823,1362,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.29210395,ISDB,RENFBQSMEYXGMZ-FRILPNNXSA-N,"InChI=1S/C25H34O3/c1-14(2)8-7-9-15(3)20-13-25-16(4)12-19(20)21(26)24(25,6)11-10-18-17(5)23(27)28-22(18)25/h8,12,17-20,22H,3,7,9-11,13H2,1-2,4-6H3/t17-,18-,19+,20-,22-,24-,25+/m0/s1",C=C(CCC=C(C)C)[C@@H]1C[C@]23C(C)=C[C@H]1C(=O)[C@]2(C)CC[C@H]1[C@H](C)C(=O)O[C@@H]13,C25H34O3,,382.250794948,RENFBQSMEYXGMZ,Terpenoids,,,Artemisia herba-alba,693395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia herba-alba'],4,1,5.668415784835815 5824,1361,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1sodium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 5825,1361,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1sodium,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 5826,1361,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 5827,1361,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1sodium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 5828,1361,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 5829,1360,940,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,UBWUZHMCADSLDT-SOHRVHQUSA-N,"InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C21H36O8,pos_1_1proton1ethylamine,416.241018112,UBWUZHMCADSLDT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,7.5 5830,1357,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.76064205,ISDB,ZCCLDKGWJIREQF-PDBXOOCHSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,C21H36O4,,352.261359632,ZCCLDKGWJIREQF,Fatty acids,Glycerolipids,Monoacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,2,8.04256820678711 5831,1356,-1,,,,0.0,MS1_match,KBJKWXDTUOJWAI-GGPRYZNNSA-N,"InChI=1S/C24H35NO5/c1-12(2)8-17-21-15(5)14(4)10-16-9-13(3)6-7-18(26)22(29)19(27)11-20(28)24(16,21)23(30)25-17/h9-10,12,15-19,21,26-27H,6-8,11H2,1-5H3,(H,25,30)/t15-,16+,17-,18+,19-,21-,24+/m1/s1",CC1=C[C@H]2C=C(C)[C@@H](C)[C@@H]3[C@@H](CC(C)C)NC(=O)[C@]23C(=O)C[C@@H](O)C(=O)[C@@H](O)CC1,C24H35NO5,pos_1_1proton1methanol,417.25152322,KBJKWXDTUOJWAI,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],7,0,7.0 5832,1354,668,,,,0.33587506,ISDB,,,,,,,JKIBIUKLWMZLGX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3435002565383911 5833,1353,21,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ethylamine,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 5834,1353,21,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ethylamine,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 5835,1353,21,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ethylamine,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 5836,1353,21,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ethylamine,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 5837,1353,21,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,pos_1_1proton1ethylamine,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 5838,1353,21,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,pos_1_1proton1ethylamine,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 5839,1353,21,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,QOLJILMTPKQQQA-JGMJVPOWSA-N,"InChI=1S/C19H34O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12+,14-,15-,16+,17-,18-/m1/s1",CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H34O7,pos_1_1proton1acetonitrile,374.230453428,QOLJILMTPKQQQA,Terpenoids,Apocarotenoids,Megastigmanes,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 5840,1353,21,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,QOLJILMTPKQQQA-JGMJVPOWSA-N,"InChI=1S/C19H34O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12+,14-,15-,16+,17-,18-/m1/s1",CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H34O7,pos_1_1proton1acetonitrile,374.230453428,QOLJILMTPKQQQA,Terpenoids,Apocarotenoids,Megastigmanes,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 5841,1352,515,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1acetonitrile,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 5842,1352,515,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1acetonitrile,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 5843,1351,-1,,,,0.5313968,ISDB,CWOFGGNDZOPNFG-ZWNOBZJWSA-N,"InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h7,10,14,16H,5-6,8H2,1-4H3/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O,C13H22O3,,226.156894564,CWOFGGNDZOPNFG,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],5,0,7.125587224960327 5844,1349,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 5845,1349,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 5846,1349,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 5847,1348,656,Shikimates and Phenylpropanoids,Stilbenoids,Chalcones,0.8876721,ISDB,QWQGMMRHTWIOGH-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-5,8-9,16,18-19H,6-7H2",O=C(CCc1ccccc1)c1c(O)cc(O)cc1O,C15H14O4,,258.089208928,QWQGMMRHTWIOGH,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Lindera umbellata,545887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera umbellata'],4,3,9.05068850517273 5848,1348,656,Shikimates and Phenylpropanoids,Stilbenoids,Chalcones,0.8876721,ISDB,QWQGMMRHTWIOGH-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-5,8-9,16,18-19H,6-7H2",O=C(CCc1ccccc1)c1c(O)cc(O)cc1O,C15H14O4,,258.089208928,QWQGMMRHTWIOGH,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Greyia flanaganii,553553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Geraniales'],['Francoaceae'],['Unknown'],['Greyia'],['Greyia flanaganii'],4,3,9.05068850517273 5849,1348,656,Shikimates and Phenylpropanoids,Stilbenoids,Chalcones,0.8876721,ISDB,QWQGMMRHTWIOGH-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-5,8-9,16,18-19H,6-7H2",O=C(CCc1ccccc1)c1c(O)cc(O)cc1O,C15H14O4,,258.089208928,QWQGMMRHTWIOGH,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],4,3,9.05068850517273 5850,1348,656,Shikimates and Phenylpropanoids,Stilbenoids,Chalcones,0.8876721,ISDB,QWQGMMRHTWIOGH-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-5,8-9,16,18-19H,6-7H2",O=C(CCc1ccccc1)c1c(O)cc(O)cc1O,C15H14O4,,258.089208928,QWQGMMRHTWIOGH,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Piper lolot,670206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper lolot'],4,3,9.05068850517273 5851,1348,656,Shikimates and Phenylpropanoids,Stilbenoids,Chalcones,0.8876721,ISDB,QWQGMMRHTWIOGH-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-5,8-9,16,18-19H,6-7H2",O=C(CCc1ccccc1)c1c(O)cc(O)cc1O,C15H14O4,,258.089208928,QWQGMMRHTWIOGH,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Helichrysum tenuifolium,7601436.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum tenuifolium'],4,3,9.05068850517273 5852,1347,106,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,UVBLDLGZDSGCSN-RUOWOPRNSA-N,"InChI=1S/C30H46O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-23,31H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,22+,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H46O3,pos_1_1proton,454.3446953319999,UVBLDLGZDSGCSN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 5853,1347,106,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,UVBLDLGZDSGCSN-RUOWOPRNSA-N,"InChI=1S/C30H46O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-23,31H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,22+,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H46O3,pos_1_1proton,454.3446953319999,UVBLDLGZDSGCSN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 5854,1343,-1,,,,0.0,MS1_match,UHUFTBALEZWWIH-UHFFFAOYSA-N,"InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3",CCCCCCCCCCCCCC=O,C14H28O,pos_1_1proton1ammonium,212.214015516,UHUFTBALEZWWIH,Fatty acids,Fatty acyls,Fatty aldehydes,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,0,6.0 5855,1342,932,,,,0.74404764,ISDB,,,,,,,AYGDIAGADYTJRY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9761905670166016 5856,1341,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 5857,1341,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 5858,1341,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 5859,1341,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5860,1341,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5861,1341,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5862,1340,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5863,1340,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 5864,1340,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 5865,1340,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 5866,1340,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5867,1340,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5868,1339,173,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.30712724,ISDB,GJPPHJZNFDHUDL-BBBLOLIVSA-N,"InChI=1S/C10H19NO2/c12-7-8-9-3-1-2-5-11(9)6-4-10(8)13/h8-10,12-13H,1-7H2/t8-,9-,10+/m1/s1",OC[C@@H]1[C@H]2CCCCN2CC[C@@H]1O,C10H19NO2,,185.141578848,GJPPHJZNFDHUDL,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Poecilanthe itapuana,273749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Brongniartieae'],['Poecilanthe'],['Poecilanthe itapuana'],0,3,2.728508949279785 5869,1339,173,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.30712724,ISDB,GJPPHJZNFDHUDL-BBBLOLIVSA-N,"InChI=1S/C10H19NO2/c12-7-8-9-3-1-2-5-11(9)6-4-10(8)13/h8-10,12-13H,1-7H2/t8-,9-,10+/m1/s1",OC[C@@H]1[C@H]2CCCCN2CC[C@@H]1O,C10H19NO2,,185.141578848,GJPPHJZNFDHUDL,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Limadendron amazonicum,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,3,2.728508949279785 5870,1339,173,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.30712724,ISDB,GJPPHJZNFDHUDL-BBBLOLIVSA-N,"InChI=1S/C10H19NO2/c12-7-8-9-3-1-2-5-11(9)6-4-10(8)13/h8-10,12-13H,1-7H2/t8-,9-,10+/m1/s1",OC[C@@H]1[C@H]2CCCCN2CC[C@@H]1O,C10H19NO2,,185.141578848,GJPPHJZNFDHUDL,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Limadendron hostmannii,3928227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Brongniartieae'],['Poecilanthe'],['Poecilanthe hostmannii'],0,3,2.728508949279785 5871,1339,173,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.30712724,ISDB,GJPPHJZNFDHUDL-BBBLOLIVSA-N,"InChI=1S/C10H19NO2/c12-7-8-9-3-1-2-5-11(9)6-4-10(8)13/h8-10,12-13H,1-7H2/t8-,9-,10+/m1/s1",OC[C@@H]1[C@H]2CCCCN2CC[C@@H]1O,C10H19NO2,,185.141578848,GJPPHJZNFDHUDL,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Poecilanthe falcata,931940.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Brongniartieae'],['Poecilanthe'],['Poecilanthe falcata'],0,3,2.728508949279785 5872,1338,-1,,,,0.0,MS1_match,WGPMCTNBJPAHNW-BYOLIVPTSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O12,pos_1_1sodium,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 5873,1338,-1,,,,0.0,MS1_match,WGPMCTNBJPAHNW-BYOLIVPTSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O12,pos_1_1sodium,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 5874,1338,-1,,,,0.0,MS1_match,WGPMCTNBJPAHNW-UHFFFAOYSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3",CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C24H38O12,pos_1_1sodium,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 5875,1338,-1,,,,0.0,MS1_match,WGPMCTNBJPAHNW-BYOLIVPTSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O12,pos_1_1sodium,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 5876,1338,-1,,,,0.0,MS1_match,WGPMCTNBJPAHNW-BYOLIVPTSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O12,pos_1_1sodium,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 5877,1338,-1,,,,0.0,MS1_match,WGPMCTNBJPAHNW-UHFFFAOYSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3",CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C24H38O12,pos_1_1sodium,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 5878,1338,-1,,,,0.0,MS1_match,ZHAMWJWQXSZIAQ-UHFFFAOYSA-N,"InChI=1S/C24H38O12/c1-11-7-13(25)8-23(3,4)24(11,32)6-5-12(2)35-22-20(31)18(29)17(28)15(36-22)10-34-21-19(30)16(27)14(26)9-33-21/h5-7,12,14-22,26-32H,8-10H2,1-4H3",CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O,C24H38O12,pos_1_1sodium,518.236326656,ZHAMWJWQXSZIAQ,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 5879,1336,-1,,,,0.0,MS1_match,SQEKYFDIWQKAAZ-OFNSFDBASA-N,"InChI=1S/C40H64O11/c1-8-9-27-48-20-36(4)25-13-14-38(6)26(35(25,3)18-23(42)32(36)50-27)11-10-22-31-39(7,47)21(2)12-15-40(31,17-16-37(22,38)5)34(46)51-33-30(45)29(44)28(43)24(19-41)49-33/h10,21,23-33,41-45,47H,8-9,11-20H2,1-7H3/t21-,23-,24-,25-,26-,27?,28-,29+,30-,31-,32+,33+,35+,36+,37-,38-,39-,40+/m1/s1",CCCC1OC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5[C@H]6[C@](C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)(CC[C@@H](C)[C@@]6(C)O)CC[C@]54C)[C@@]3(C)C[C@@H](O)[C@@H]2O1,C40H64O11,pos_1_1sodium,720.444862868,SQEKYFDIWQKAAZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus allegheniensis,148072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus allegheniensis'],6,0,6.0 5880,1336,-1,,,,0.0,MS1_match,IFYBSXYNYSBLNA-PYEQNYIBSA-N,"InChI=1S/C40H64O11/c1-20(2)32-48-19-36(5)25-12-13-38(7)26(35(25,4)17-23(42)31(36)50-32)10-9-22-30-39(8,47)21(3)11-14-40(30,16-15-37(22,38)6)34(46)51-33-29(45)28(44)27(43)24(18-41)49-33/h9,20-21,23-33,41-45,47H,10-19H2,1-8H3/t21-,23-,24-,25-,26-,27-,28+,29-,30-,31+,32-,33+,35-,36+,37-,38-,39-,40+/m1/s1",CC(C)[C@@H]1OC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5[C@H]6[C@](C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)(CC[C@@H](C)[C@@]6(C)O)CC[C@]54C)[C@]3(C)C[C@@H](O)[C@@H]2O1,C40H64O11,pos_1_1sodium,720.4448628679999,IFYBSXYNYSBLNA,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus allegheniensis,148072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus allegheniensis'],6,0,6.0 5881,1335,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZABGRNGGJZBHDJ-BZNQNGANSA-N,"InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-7-3-5(12(19)20)1-2-6(7)15/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C13H16O9,pos_1_1proton1ethylamine,316.07943209199993,ZABGRNGGJZBHDJ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],7,1,7.5 5882,1335,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GEZJVEGHJRPQEX-BZNQNGANSA-N,"InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-7-2-1-5(15)3-6(7)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C13H16O9,pos_1_1proton1ethylamine,316.079432092,GEZJVEGHJRPQEX,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cotoneaster orbicularis,3903052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster orbicularis'],7,1,7.5 5883,1334,509,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_2_2proton2acetonitrile,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],6,3,7.5 5884,1333,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5885,1331,313,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,YPTKEBZXWPOZOJ-UHFFFAOYSA-N,"InChI=1S/C18H14O6/c1-22-12-5-3-10(4-6-12)15-9-14(20)17-13(18(21)23-2)7-11(19)8-16(17)24-15/h3-9,19H,1-2H3",COC(=O)c1cc(O)cc2oc(-c3ccc(OC)cc3)cc(=O)c12,C18H14O6,pos_1_1proton1isopropanol,326.07903816799995,YPTKEBZXWPOZOJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 5886,1328,181,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,7.5 5887,1328,181,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,3,7.5 5888,1328,181,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,7.5 5889,1328,181,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,7.5 5890,1328,181,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,3,7.5 5891,1328,181,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,7.5 5892,1328,181,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,7.5 5893,1328,181,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,3,7.5 5894,1328,181,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,7.5 5895,1327,227,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,KCKBEANTNJGRCV-UHFFFAOYSA-N,"InChI=1S/C14H14O3/c1-16-12-8-11(9-13(17-2)14(12)15)10-6-4-3-5-7-10/h3-9,15H,1-2H3",COc1cc(-c2ccccc2)cc(OC)c1O,C14H14O3,pos_1_1proton1methanol,230.094294308,KCKBEANTNJGRCV,Shikimates and Phenylpropanoids,Terphenyls,p-Terphenyls,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,1,8.5 5896,1327,227,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,KCKBEANTNJGRCV-UHFFFAOYSA-N,"InChI=1S/C14H14O3/c1-16-12-8-11(9-13(17-2)14(12)15)10-6-4-3-5-7-10/h3-9,15H,1-2H3",COc1cc(-c2ccccc2)cc(OC)c1O,C14H14O3,pos_1_1proton1methanol,230.094294308,KCKBEANTNJGRCV,Shikimates and Phenylpropanoids,Terphenyls,p-Terphenyls,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,1,8.5 5897,1326,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ammonium,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],7,1,7.5 5898,1326,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ammonium,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Cotoneaster simonsii,3903153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster simonsii'],7,1,7.5 5899,1326,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ammonium,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],7,1,7.5 5900,1326,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1proton1ammonium,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,1,7.5 5901,1326,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1proton1ammonium,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],7,1,7.5 5902,1326,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ammonium,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],7,1,7.5 5903,1326,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ammonium,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Cotoneaster simonsii,3903153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster simonsii'],7,1,7.5 5904,1326,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ammonium,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],7,1,7.5 5905,1326,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1proton1ammonium,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,1,7.5 5906,1326,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1proton1ammonium,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],7,1,7.5 5907,1325,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,IKXFGEKULKZDCJ-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8(6)9(15)5-3-7(14)12(17)18-11(5)10(4)16/h3,14-16H,1-2H2",O=C1CCc2c1c(O)c1cc(O)c(=O)oc1c2O,C12H8O6,pos_1_1proton1isopropanol,248.032087976,IKXFGEKULKZDCJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,1,6.5 5908,1324,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 5909,1324,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 5910,1322,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.26011294,ISDB,NXIXBHMKUKUWCV-VSGBNLITSA-N,"InChI=1S/C29H36O/c1-23(2)10-9-15-26-17-20-28(29(30)21-18-25-13-7-4-8-14-25)27(22-26)19-16-24-11-5-3-6-12-24/h3-8,10-14,17,27-28H,9,15-16,18-22H2,1-2H3/t27-,28-/m1/s1",CC(C)=CCCC1=CC[C@@H](C(=O)CCc2ccccc2)[C@H](CCc2ccccc2)C1,C29H36O,,400.276615772,NXIXBHMKUKUWCV,Terpenoids,,,Alpinia officinarum,477388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia officinarum'],4,1,5.540451765060425 5911,1321,-1,,,,0.0,MS1_match,LNRJPFZEOOOQOH-MYXURULXSA-N,"InChI=1S/C16H20O8/c1-22-12(18)7-6-9-4-2-3-5-10(9)23-16-15(21)14(20)13(19)11(8-17)24-16/h2-7,11,13-17,19-21H,8H2,1H3/b7-6+/t11-,13-,14+,15-,16-/m1/s1",COC(=O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O8,pos_1_1sodium,340.1158176,LNRJPFZEOOOQOH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],6,0,6.0 5912,1321,-1,,,,0.0,MS1_match,MTOYMHLXRWCTMD-ORXIWHNOSA-N,"InChI=1S/C16H20O8/c1-22-10-5-2-9(3-6-10)4-7-12(17)23-8-11-13(18)14(19)15(20)16(21)24-11/h2-7,11,13-16,18-21H,8H2,1H3/b7-4+/t11-,13-,14+,15-,16-/m1/s1",COc1ccc(/C=C/C(=O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)cc1,C16H20O8,pos_1_1sodium,340.1158176,MTOYMHLXRWCTMD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea canescens,832446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea canescens'],6,0,6.0 5913,1320,353,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.22370774,ISDB,AZHYCXWIUXJIHK-UHFFFAOYSA-N,"InChI=1S/C14H27NO3/c1-11-13(16)10-9-12(15-11)7-5-3-2-4-6-8-14(17)18/h11-13,15-16H,2-10H2,1H3,(H,17,18)",CC1NC(CCCCCCCC(=O)O)CCC1O,C14H27NO3,,257.199093724,AZHYCXWIUXJIHK,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Carica papaya,429474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Caricaceae'],['Unknown'],['Carica'],['Carica papaya'],0,3,2.3948309421539307 5914,1319,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,1,7.5 5915,1319,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SLCKJKWFULXZBD-ZOTFFYTFSA-O,"InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,SLCKJKWFULXZBD,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Amelanchier bartramiana,452576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Amelanchier'],['Amelanchier bartramiana'],7,1,7.5 5916,1319,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SLCKJKWFULXZBD-ZOTFFYTFSA-O,"InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,SLCKJKWFULXZBD,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Amelanchier humilis,45825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Amelanchier'],['Amelanchier humilis'],7,1,7.5 5917,1319,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SLCKJKWFULXZBD-ZOTFFYTFSA-O,"InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,SLCKJKWFULXZBD,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Amelanchier spicata,600662.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Amelanchier'],['Amelanchier spicata'],7,1,7.5 5918,1319,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SLCKJKWFULXZBD-ZOTFFYTFSA-O,"InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,SLCKJKWFULXZBD,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Amelanchier alnifolia,833565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Amelanchier'],['Amelanchier alnifolia'],7,1,7.5 5919,1319,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SLCKJKWFULXZBD-ZOTFFYTFSA-O,"InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,SLCKJKWFULXZBD,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Amelanchier sanguinea,566688.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Amelanchier'],['Amelanchier sanguinea'],7,1,7.5 5920,1319,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,1,7.5 5921,1319,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SLCKJKWFULXZBD-ZOTFFYTFSA-O,"InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,SLCKJKWFULXZBD,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Fragaria vesca,852873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria vesca'],7,1,7.5 5922,1319,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SLCKJKWFULXZBD-ZOTFFYTFSA-O,"InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,SLCKJKWFULXZBD,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Amelanchier humilis,45825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Amelanchier'],['Amelanchier humilis'],7,1,7.5 5923,1319,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SLCKJKWFULXZBD-ZOTFFYTFSA-O,"InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,SLCKJKWFULXZBD,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Amelanchier spicata,600662.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Amelanchier'],['Amelanchier spicata'],7,1,7.5 5924,1319,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SLCKJKWFULXZBD-ZOTFFYTFSA-O,"InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,SLCKJKWFULXZBD,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Amelanchier alnifolia,833565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Amelanchier'],['Amelanchier alnifolia'],7,1,7.5 5925,1319,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SLCKJKWFULXZBD-ZOTFFYTFSA-O,"InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,SLCKJKWFULXZBD,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Amelanchier sanguinea,566688.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Amelanchier'],['Amelanchier sanguinea'],7,1,7.5 5926,1319,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SLCKJKWFULXZBD-ZOTFFYTFSA-O,"InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,SLCKJKWFULXZBD,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Fragaria vesca,852873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria vesca'],7,1,7.5 5927,1319,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SLCKJKWFULXZBD-ZOTFFYTFSA-O,"InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,SLCKJKWFULXZBD,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Amelanchier bartramiana,452576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Amelanchier'],['Amelanchier bartramiana'],7,1,7.5 5928,1319,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,1,7.5 5929,1319,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,1,7.5 5930,1319,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,1,7.5 5931,1319,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,1,7.5 5932,1318,347,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YZDQDCHESVQFNC-PQBXVMOBSA-N,"InChI=1S/C39H54O6/c1-23-12-17-39(34(43)44)19-18-37(6)28(33(39)24(23)2)9-10-30-36(5)15-14-31(35(3,4)29(36)13-16-38(30,37)7)45-32(42)11-8-25-20-26(40)22-27(41)21-25/h8-9,11,20-24,29-31,33,40-41H,10,12-19H2,1-7H3,(H,43,44)/b11-8+/t23-,24+,29+,30-,31+,33+,36+,37-,38-,39+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6cc(O)cc(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C39H54O6,pos_3_3proton,618.392039448,YZDQDCHESVQFNC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Chaenomeles japonica,852470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles japonica'],6,3,7.5 5933,1317,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 5934,1317,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 5935,1317,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,0,6.0 5936,1317,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,0,6.0 5937,1317,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 5938,1317,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 5939,1317,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,0,6.0 5940,1317,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 5941,1317,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 5942,1317,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 5943,1317,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 5944,1317,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,0,6.0 5945,1317,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,0,6.0 5946,1317,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 5947,1317,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 5948,1317,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,0,6.0 5949,1317,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 5950,1317,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 5951,1317,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 5952,1317,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 5953,1317,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 5954,1317,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 5955,1317,-1,,,,0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1proton1acetonitrile,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 5956,1317,-1,,,,0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1proton1acetonitrile,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 5957,1316,21,Terpenoids,Apocarotenoids,Megastigmanes,0.5995046,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia gmelinii,115033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia gmelinii'],4,3,7.8980183601379395 5958,1316,21,Terpenoids,Apocarotenoids,Megastigmanes,0.5995046,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia chamaemelifolia,119282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia chamaemelifolia'],4,3,7.8980183601379395 5959,1316,21,Terpenoids,Apocarotenoids,Megastigmanes,0.5995046,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],4,3,7.8980183601379395 5960,1316,21,Terpenoids,Apocarotenoids,Megastigmanes,0.5995046,ISDB,QFTPTUOKFIIFJH-MODFVPIOSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11-,13-,14-,15+,16-,17-,19-/m1/s1",C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.20971798399984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Myrsine seguinii,659787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Myrsine'],['Myrsine seguinii'],4,3,7.8980183601379395 5961,1316,21,Terpenoids,Apocarotenoids,Megastigmanes,0.5995046,ISDB,QFTPTUOKFIIFJH-AATRIKPKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+",CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],4,3,7.8980183601379395 5962,1316,21,Terpenoids,Apocarotenoids,Megastigmanes,0.5995046,ISDB,QFTPTUOKFIIFJH-MODFVPIOSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11-,13-,14-,15+,16-,17-,19-/m1/s1",C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.20971798399984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Helicia cochinchinensis,835265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Proteaceae'],['Unknown'],['Helicia'],['Helicia cochinchinensis'],4,3,7.8980183601379395 5963,1316,21,Terpenoids,Apocarotenoids,Megastigmanes,0.5995046,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia stechmanniana,154486.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia santolinifolia'],4,3,7.8980183601379395 5964,1316,21,Terpenoids,Apocarotenoids,Megastigmanes,0.5995046,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia santolinifolia,154486.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia santolinifolia'],4,3,7.8980183601379395 5965,1312,171,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FHBQRFOFZLGUSR-WCTCFVGCSA-N,"InChI=1S/C23H22O12/c1-30-13-4-9(5-14-22(13)32-8-31-14)21-19(28)16(25)11-3-2-10(6-12(11)34-21)33-23-20(29)18(27)17(26)15(7-24)35-23/h2-6,15,17-18,20,23-24,26-29H,7-8H2,1H3/t15-,17-,18+,20-,23-/m1/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c(=O)c2O)cc2c1OCO2,C23H22O12,pos_1_1sodium,490.111126144,FHBQRFOFZLGUSR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,8.5 5966,1312,171,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FHBQRFOFZLGUSR-WCTCFVGCSA-N,"InChI=1S/C23H22O12/c1-30-13-4-9(5-14-22(13)32-8-31-14)21-19(28)16(25)11-3-2-10(6-12(11)34-21)33-23-20(29)18(27)17(26)15(7-24)35-23/h2-6,15,17-18,20,23-24,26-29H,7-8H2,1H3/t15-,17-,18+,20-,23-/m1/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c(=O)c2O)cc2c1OCO2,C23H22O12,pos_1_1sodium,490.111126144,FHBQRFOFZLGUSR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 5967,1311,-1,,,,0.0,MS1_match,OYRNAQRKPVOICQ-JKNURMDQSA-N,"InChI=1S/C18H30O10/c1-4-25-11(12-16(28-17(12)24)9(20)5-8(2)3)7-26-18-15(23)14(22)13(21)10(6-19)27-18/h5,9-16,18-23H,4,6-7H2,1-3H3/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",CCO[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C,C18H30O10,pos_1_1proton1ethylamine,406.1838971599999,OYRNAQRKPVOICQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 5968,1311,-1,,,,0.0,MS1_match,OYRNAQRKPVOICQ-JKNURMDQSA-N,"InChI=1S/C18H30O10/c1-4-25-11(12-16(28-17(12)24)9(20)5-8(2)3)7-26-18-15(23)14(22)13(21)10(6-19)27-18/h5,9-16,18-23H,4,6-7H2,1-3H3/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",CCO[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C,C18H30O10,pos_1_1proton1ethylamine,406.1838971599999,OYRNAQRKPVOICQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 5969,1310,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.21824093,ISDB,GBDITKZBAOCLPE-NGKWUEFESA-N,"InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-40-37(7,8)26-33(45-40)27-39(40,10)44)15-11-12-16-29(2)19-14-20-31(4)34(42)23-35(43)38(9)25-32(41)24-36(38,5)6/h11-23,32-33,41-42,44H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+,34-23-/t32-,33-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C,C40H56O5,,616.412774892,GBDITKZBAOCLPE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Crassostrea gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,2,2.8729637265205383 5970,1310,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.21824093,ISDB,GBDITKZBAOCLPE-NGKWUEFESA-N,"InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-40-37(7,8)26-33(45-40)27-39(40,10)44)15-11-12-16-29(2)19-14-20-31(4)34(42)23-35(43)38(9)25-32(41)24-36(38,5)6/h11-23,32-33,41-42,44H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+,34-23-/t32-,33-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C,C40H56O5,,616.412774892,GBDITKZBAOCLPE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Magallana gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,2,2.8729637265205383 5971,1306,273,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ammonium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5972,1306,273,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ammonium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5973,1306,273,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ammonium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 5974,1302,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ethylamine,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,1,8.5 5975,1302,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ethylamine,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,1,8.5 5976,1302,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ethylamine,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 5977,1302,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ethylamine,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,1,8.5 5978,1302,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ethylamine,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 5979,1302,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,UPRXEFYRIACHQZ-OMMCCPJFSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5-/t10-/m0/s1",C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,pos_1_1proton1ethylamine,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 5980,1302,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ethylamine,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,1,8.5 5981,1302,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ethylamine,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 5982,1298,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,SZOHSTQGGUHULY-HIFRSBDPSA-N,"InChI=1S/C15H22O/c1-11(2)13-7-9-15(3)8-6-12(10-16)4-5-14(13)15/h5-6,10-11,13H,4,7-9H2,1-3H3/t13-,15+/m1/s1",CC(C)[C@H]1CC[C@]2(C)CC=C(C=O)CC=C12,C15H22O,pos_2MH,218.167065324,SZOHSTQGGUHULY,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,1,6.5 5983,1298,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,FJLQWQUZCQLZHA-RBSFLKMASA-N,"InChI=1S/C15H22O/c1-11(2)13-7-9-15(3)8-6-12(10-16)4-5-14(13)15/h6,10,13-14H,1,4-5,7-9H2,2-3H3/t13-,14-,15-/m1/s1",C=C(C)[C@H]1CC[C@@]2(C)CC=C(C=O)CC[C@H]12,C15H22O,pos_2MH,218.167065324,FJLQWQUZCQLZHA,Terpenoids,Sesquiterpenoids,Isodaucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,1,6.5 5984,1298,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,XDBOEVDBTVZZRP-UKRRQHHQSA-N,"InChI=1S/C15H22O/c1-10(2)13-9-14(16)12(4)15(13)7-5-11(3)6-8-15/h5,10,13H,4,6-9H2,1-3H3/t13-,15-/m1/s1",C=C1C(=O)C[C@H](C(C)C)[C@@]12CC=C(C)CC2,C15H22O,pos_2MH,218.167065324,XDBOEVDBTVZZRP,Terpenoids,Sesquiterpenoids,Acorane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,1,6.5 5985,1298,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,DUKANLAALCEHLW-OAHLLOKOSA-N,"InChI=1S/C15H22O/c1-11(2)13-7-9-15(3)8-6-12(10-16)4-5-14(13)15/h6,10-11H,4-5,7-9H2,1-3H3/t15-/m1/s1",CC(C)C1=C2CCC(C=O)=CC[C@]2(C)CC1,C15H22O,pos_2MH,218.167065324,DUKANLAALCEHLW,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,1,6.5 5986,1294,483,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,MOEVEIGHSLNJAI-RRXMTBKISA-N,"InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,21,23,25-29H,2,8,12-19H2,1,3-7H3/b10-9+/t21-,23+,25+,26+,27-,28+,29+,30+,31-/m1/s1",C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)CC,C31H48O2,pos_1_minus1proton1iron,452.365430776,MOEVEIGHSLNJAI,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 5987,1291,208,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.76848763,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,1,11.57395052909851 5988,1288,-1,,,,0.0,MS1_match,PFDVWJCSCYDRMZ-AUCPOXKISA-N,"InChI=1S/C34H37N3O6/c38-29-13-4-26(5-14-29)10-19-32(41)35-22-1-2-24-37(34(43)21-12-28-8-17-31(40)18-9-28)25-3-23-36-33(42)20-11-27-6-15-30(39)16-7-27/h4-21,38-40H,1-3,22-25H2,(H,35,41)(H,36,42)/b19-10+,20-11+,21-12+",O=C(/C=C/c1ccc(O)cc1)NCCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1,C34H37N3O6,pos_1_minus1proton1magnesium,583.268235904,PFDVWJCSCYDRMZ,Alkaloids,Ornithine alkaloids,Polyamines,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],6,0,6.0 5989,1286,-1,,,,0.0,MS1_match,RXBFKZNLXJKTLQ-UHFFFAOYSA-N,"InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)",CCCCCCCCC(O)C=CCCCCCCC(=O)O,C18H34O3,pos_2MK,298.250794948,RXBFKZNLXJKTLQ,Fatty acids,Octadecanoids,Other Octadecanoids,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 5990,1281,311,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1sodium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 5991,1281,311,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1sodium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 5992,1277,-1,,,,0.0,MS1_match,KCKBEANTNJGRCV-UHFFFAOYSA-N,"InChI=1S/C14H14O3/c1-16-12-8-11(9-13(17-2)14(12)15)10-6-4-3-5-7-10/h3-9,15H,1-2H3",COc1cc(-c2ccccc2)cc(OC)c1O,C14H14O3,pos_1_1proton,230.094294308,KCKBEANTNJGRCV,Shikimates and Phenylpropanoids,Terphenyls,p-Terphenyls,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 5993,1277,-1,,,,0.0,MS1_match,KCKBEANTNJGRCV-UHFFFAOYSA-N,"InChI=1S/C14H14O3/c1-16-12-8-11(9-13(17-2)14(12)15)10-6-4-3-5-7-10/h3-9,15H,1-2H3",COc1cc(-c2ccccc2)cc(OC)c1O,C14H14O3,pos_1_1proton,230.094294308,KCKBEANTNJGRCV,Shikimates and Phenylpropanoids,Terphenyls,p-Terphenyls,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 5994,1274,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,8.5 5995,1274,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,1,8.5 5996,1274,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 5997,1274,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla argentea,355267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla argentea'],8,1,8.5 5998,1274,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,1,8.5 5999,1274,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,1,8.5 6000,1274,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,1,8.5 6001,1273,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSMVZQYAVGTKIV-UHFFFAOYSA-N,"InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3",CCCCCCCCCC=O,C10H20O,pos_1_1proton1acetonitrile,156.15141526,KSMVZQYAVGTKIV,Fatty acids,Fatty acyls,Fatty aldehydes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 6002,1273,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WTEVQBCEXWBHNA-YFHOEESVSA-N,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-",CC(C)=CCC/C(C)=C\C=O,C10H16O,pos_1_1proton1ethylamine,152.120115132,WTEVQBCEXWBHNA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 6003,1273,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NOOLISFMXDJSKH-UHFFFAOYSA-N,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",CC1CCC(C(C)C)C(O)C1,C10H20O,pos_1_1proton1acetonitrile,156.15141526,NOOLISFMXDJSKH,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 6004,1272,-1,,,,0.22902657,ISDB,FNJONHVYAFLGBB-HUQKSBPVSA-N,"InChI=1S/C39H64O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(40)43-30-39(41)29-38-26-22-33-32-24-27-42-34(32)23-25-37(33,2)35(38)21-20-31(39)28-38/h24,27,31,33,35,41H,3-23,25-26,28-30H2,1-2H3/t31-,33-,35+,37-,38+,39+/m1/s1",CCCCCCCCCCCCCCCCCCC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C39H64O4,,596.480460528,FNJONHVYAFLGBB,Terpenoids,Diterpenoids,,Coffea arabica,1001050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Coffea'],['Coffea arabica'],4,0,4.916106283664703 6005,1271,107,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,DCWOIJNXHXDCKT-UHFFFAOYSA-N,"InChI=1S/C25H33NO5/c1-14(22(28)17(4)27)9-8-12-19-23(29)16(3)15(2)21-20(26-24(30)25(19,21)31)13-18-10-6-5-7-11-18/h5-8,10-12,14,17,19-21,23,27,29,31H,9,13H2,1-4H3,(H,26,30)",CC1=C(C)C2C(Cc3ccccc3)NC(=O)C2(O)C(C=CCC(C)C(=O)C(C)O)C1O,C25H33NO5,pos_1_1proton1methanol,427.235873156,DCWOIJNXHXDCKT,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],7,3,8.5 6006,1271,107,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,XKLGDBFKKUIZTH-UHFFFAOYSA-N,"InChI=1S/C25H33NO5/c1-14(22(28)17(4)27)9-8-12-19-23(29)16(3)15(2)21-20(26-24(30)25(19,21)31)13-18-10-6-5-7-11-18/h5-8,10-12,14-15,17,19-21,23,27,29,31H,3,9,13H2,1-2,4H3,(H,26,30)",C=C1C(C)C2C(Cc3ccccc3)NC(=O)C2(O)C(C=CCC(C)C(=O)C(C)O)C1O,C25H33NO5,pos_1_1proton1methanol,427.235873156,XKLGDBFKKUIZTH,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],7,3,8.5 6007,1271,107,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,RQWVQCYJRCZFED-UHFFFAOYSA-N,"InChI=1S/C25H33NO5/c1-14(22(28)17(4)27)9-8-12-19-23(29)16(3)15(2)21-20(26-24(30)25(19,21)31)13-18-10-6-5-7-11-18/h5-8,10-12,14,19-23,28-29,31H,9,13H2,1-4H3,(H,26,30)",CC(=O)C(O)C(C)CC=CC1C(O)C(C)=C(C)C2C(Cc3ccccc3)NC(=O)C12O,C25H33NO5,pos_1_1proton1methanol,427.235873156,RQWVQCYJRCZFED,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],7,3,8.5 6008,1266,-1,,,,0.0,MS1_match,IKBSXSWJOQRTRW-OTJBPAGCSA-N,"InChI=1S/C16H26O8/c1-9(7-17)5-3-4-6-10(2)15(22)24-16-14(21)13(20)12(19)11(8-18)23-16/h3-5,10-14,16-21H,6-8H2,1-2H3/t10-,11+,12+,13-,14+,16-/m0/s1",CC(=CC=CC[C@H](C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H26O8,pos_1_1proton1ethylamine,346.162767792,IKBSXSWJOQRTRW,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 6009,1266,-1,,,,0.0,MS1_match,IKBSXSWJOQRTRW-OTJBPAGCSA-N,"InChI=1S/C16H26O8/c1-9(7-17)5-3-4-6-10(2)15(22)24-16-14(21)13(20)12(19)11(8-18)23-16/h3-5,10-14,16-21H,6-8H2,1-2H3/t10-,11+,12+,13-,14+,16-/m0/s1",CC(=CC=CC[C@H](C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H26O8,pos_1_1proton1ethylamine,346.162767792,IKBSXSWJOQRTRW,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6010,1266,-1,,,,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1proton1ethylamine,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 6011,1265,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Crataegus microphylla,3903788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus microphylla'],6,0,6.0 6012,1265,-1,,,,0.0,MS1_match,MSVVDBMAVSBGAQ-OUECKCITSA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-23(8-13)41-30(12-2-4-16(33)19(36)6-12)29(42-30)26(24)25-21(38)10-17(34)14-9-22(39)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-27,29,31-39H,9H2/t22-,26+,27-,29+,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)O[C@H]1[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H24O12,pos_2_2sodium,576.1267762079998,MSVVDBMAVSBGAQ,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],6,0,6.0 6013,1265,-1,,,,0.0,MS1_match,XNGZKGIFXTWBFN-JYHBIOJMSA-N,"InChI=1S/C30H24O12/c31-12-4-17(33)13-7-23-28(39-21(13)5-12)29-10-30(38,42-23)24(37)8-15(29)25-22(41-29)9-18(34)14-6-20(36)26(40-27(14)25)11-1-2-16(32)19(35)3-11/h1-5,8-9,20,23,26,28,31-36,38H,6-7,10H2/t20-,23-,26+,28-,29+,30+/m1/s1",O=C1C=C2c3c(cc(O)c4c3O[C@@H](c3ccc(O)c(O)c3)[C@H](O)C4)O[C@@]23C[C@]1(O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]13,C30H24O12,pos_2_2sodium,576.126776208,XNGZKGIFXTWBFN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],6,0,6.0 6014,1265,-1,,,,0.0,MS1_match,XNGZKGIFXTWBFN-JYHBIOJMSA-N,"InChI=1S/C30H24O12/c31-12-4-17(33)13-7-23-28(39-21(13)5-12)29-10-30(38,42-23)24(37)8-15(29)25-22(41-29)9-18(34)14-6-20(36)26(40-27(14)25)11-1-2-16(32)19(35)3-11/h1-5,8-9,20,23,26,28,31-36,38H,6-7,10H2/t20-,23-,26+,28-,29+,30+/m1/s1",O=C1C=C2c3c(cc(O)c4c3O[C@@H](c3ccc(O)c(O)c3)[C@H](O)C4)O[C@@]23C[C@]1(O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]13,C30H24O12,pos_2_2sodium,576.126776208,XNGZKGIFXTWBFN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],6,0,6.0 6015,1265,-1,,,,0.0,MS1_match,NSEWTSAADLNHNH-VCFSXNJSSA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27+,29-,30+/m0/s1",Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C4,C30H24O12,pos_2_2sodium,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],6,0,6.0 6016,1265,-1,,,,0.0,MS1_match,NSEWTSAADLNHNH-VCFSXNJSSA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27+,29-,30+/m0/s1",Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C4,C30H24O12,pos_2_2sodium,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],6,0,6.0 6017,1265,-1,,,,0.0,MS1_match,XVXXIRQXOYAJAF-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-7-1-2-10(18)9(3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2cc(O)ccc2O)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,XVXXIRQXOYAJAF,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,0,6.0 6018,1265,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 6019,1265,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],6,0,6.0 6020,1265,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus triloba,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],6,0,6.0 6021,1265,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus ulmifolia,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],6,0,6.0 6022,1265,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],6,0,6.0 6023,1265,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],6,0,6.0 6024,1265,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,0,6.0 6025,1265,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 6026,1265,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],6,0,6.0 6027,1265,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],6,0,6.0 6028,1265,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 6029,1265,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,0,6.0 6030,1265,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,0,6.0 6031,1265,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Luetkea pectinata,32528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Luetkea'],['Luetkea pectinata'],6,0,6.0 6032,1265,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 6033,1265,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],6,0,6.0 6034,1265,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],6,0,6.0 6035,1265,-1,,,,0.0,MS1_match,BYSRPHRKESMCPO-XDJXAWJCSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41+,44-,45+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H36O18,pos_3_3sodium,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 6036,1265,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],6,0,6.0 6037,1265,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],6,0,6.0 6038,1265,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 6039,1265,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],6,0,6.0 6040,1265,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,0,6.0 6041,1265,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Rubus phoenicolasius,96561.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus phoenicolasius'],6,0,6.0 6042,1265,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],6,0,6.0 6043,1265,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],6,0,6.0 6044,1265,-1,,,,0.0,MS1_match,BYSRPHRKESMCPO-XDJXAWJCSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41+,44-,45+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H36O18,pos_3_3sodium,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 6045,1264,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,TUHVEAJXIMEOSA-UHFFFAOYSA-N,"InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)",N=C(N)NCCCC(=O)O,C5H11N3O2,pos_1_1proton,145.085126592,TUHVEAJXIMEOSA,Amino acids and Peptides,Small peptides,Aminoacids,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 6046,1264,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,TUHVEAJXIMEOSA-UHFFFAOYSA-N,"InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)",N=C(N)NCCCC(=O)O,C5H11N3O2,pos_1_1proton,145.085126592,TUHVEAJXIMEOSA,Amino acids and Peptides,Small peptides,Aminoacids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 6047,1263,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.21947081,ISDB,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,9.37788325548172 6048,1263,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.21947081,ISDB,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,9.37788325548172 6049,1263,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.21947081,ISDB,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,1,9.37788325548172 6050,1262,187,Terpenoids,Sesquiterpenoids,Open-chain polyketides,0.20749584,ISDB,IYTJBDCGCIESLE-SPVCLDLCSA-N,"InChI=1S/C22H36O8/c1-7-8-9-16(24)10-11-17(25)28-18-12(2)19-22(6,30-14(18)4)20(27-15(5)23)13(3)21(26)29-19/h12-14,16,18-20,24H,7-11H2,1-6H3/t12-,13-,14+,16+,18-,19+,20+,22+/m1/s1",CCCC[C@H](O)CCC(=O)O[C@@H]1[C@@H](C)[C@@H]2OC(=O)[C@H](C)[C@H](OC(C)=O)[C@@]2(C)O[C@H]1C,C22H36O8,,428.241018112,IYTJBDCGCIESLE,Polyketides,Linear polyketides,Open-chain polyketides,Botrytis cinerea,17713.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Leotiomycetes'],['Helotiales'],['Sclerotiniaceae'],['Unknown'],['Botrytis'],['Botrytis cinerea'],0,3,2.329983353614807 6051,1260,107,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,DCWOIJNXHXDCKT-UHFFFAOYSA-N,"InChI=1S/C25H33NO5/c1-14(22(28)17(4)27)9-8-12-19-23(29)16(3)15(2)21-20(26-24(30)25(19,21)31)13-18-10-6-5-7-11-18/h5-8,10-12,14,17,19-21,23,27,29,31H,9,13H2,1-4H3,(H,26,30)",CC1=C(C)C2C(Cc3ccccc3)NC(=O)C2(O)C(C=CCC(C)C(=O)C(C)O)C1O,C25H33NO5,pos_1_1proton1methanol,427.235873156,DCWOIJNXHXDCKT,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],7,3,8.5 6052,1260,107,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,XKLGDBFKKUIZTH-UHFFFAOYSA-N,"InChI=1S/C25H33NO5/c1-14(22(28)17(4)27)9-8-12-19-23(29)16(3)15(2)21-20(26-24(30)25(19,21)31)13-18-10-6-5-7-11-18/h5-8,10-12,14-15,17,19-21,23,27,29,31H,3,9,13H2,1-2,4H3,(H,26,30)",C=C1C(C)C2C(Cc3ccccc3)NC(=O)C2(O)C(C=CCC(C)C(=O)C(C)O)C1O,C25H33NO5,pos_1_1proton1methanol,427.235873156,XKLGDBFKKUIZTH,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],7,3,8.5 6053,1260,107,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,RQWVQCYJRCZFED-UHFFFAOYSA-N,"InChI=1S/C25H33NO5/c1-14(22(28)17(4)27)9-8-12-19-23(29)16(3)15(2)21-20(26-24(30)25(19,21)31)13-18-10-6-5-7-11-18/h5-8,10-12,14,19-23,28-29,31H,9,13H2,1-4H3,(H,26,30)",CC(=O)C(O)C(C)CC=CC1C(O)C(C)=C(C)C2C(Cc3ccccc3)NC(=O)C12O,C25H33NO5,pos_1_1proton1methanol,427.235873156,RQWVQCYJRCZFED,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],7,3,8.5 6054,1258,74,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,2,9.0 6055,1258,74,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,KKJMOABHCCNIEF-WVXKDWSHSA-N,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,24-29H,7H2/t16-,17+,18+,19-,21-/m1/s1",O=c1cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc-2c(O)c1,C21H20O11,pos_1_1proton,448.10056146,KKJMOABHCCNIEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,2,9.0 6056,1258,74,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,RKWHWFONKJEUEF-WVXKDWSHSA-O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O,C21H21O11+,pos_1_1proton,449.10783791208985,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,2,9.0 6057,1258,74,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,RKWHWFONKJEUEF-WVXKDWSHSA-O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O,C21H21O11+,pos_1_1proton,449.10783791208985,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,2,9.0 6058,1258,74,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,2,9.0 6059,1258,74,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,2,9.0 6060,1258,74,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,2,9.0 6061,1257,573,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.87252104,ISDB,JYVVXGYNFYHSER-UINNMSKDSA-N,"InChI=1S/C14H20O2/c1-8-10-7-13(2,3)5-9-6-14(9,4)11(10)12(15)16-8/h8-9H,5-7H2,1-4H3/t8-,9-,14+/m0/s1",C[C@@H]1OC(=O)C2=C1CC(C)(C)C[C@H]1C[C@@]21C,C14H20O2,,220.14632988,JYVVXGYNFYHSER,Terpenoids,Sesquiterpenoids,Africanane sesquiterpenoids,Porella swartziana,250779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Porellales'],['Porellaceae'],['Unknown'],['Porella'],['Porella swartziana'],0,2,4.490084171295166 6062,1254,-1,,,,0.0,MS1_match,MGUZEJUQIKUKHQ-NPUIBITLSA-N,"InChI=1S/C28H40O12/c1-14-23(30)26(33)27(34)28(40-14)39-13-18(7-16-10-21(37-4)25(32)22(11-16)38-5)17(12-29)6-15-8-19(35-2)24(31)20(9-15)36-3/h8-11,14,17-18,23,26-34H,6-7,12-13H2,1-5H3/t14-,17+,18+,23-,26+,27+,28+/m0/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C28H40O12,pos_1_1potassium,568.2519767199999,MGUZEJUQIKUKHQ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6063,1254,-1,,,,0.0,MS1_match,MGUZEJUQIKUKHQ-NPUIBITLSA-N,"InChI=1S/C28H40O12/c1-14-23(30)26(33)27(34)28(40-14)39-13-18(7-16-10-21(37-4)25(32)22(11-16)38-5)17(12-29)6-15-8-19(35-2)24(31)20(9-15)36-3/h8-11,14,17-18,23,26-34H,6-7,12-13H2,1-5H3/t14-,17+,18+,23-,26+,27+,28+/m0/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C28H40O12,pos_1_1potassium,568.2519767199999,MGUZEJUQIKUKHQ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6064,1250,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,3,13.259337186813354 6065,1250,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,13.259337186813354 6066,1250,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,13.259337186813354 6067,1250,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],8,3,13.259337186813354 6068,1250,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,13.259337186813354 6069,1250,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,3,13.259337186813354 6070,1250,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,3,13.259337186813354 6071,1250,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,3,13.259337186813354 6072,1250,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,13.259337186813354 6073,1250,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9398343,ISDB,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,13.259337186813354 6074,1244,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ethylamine,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 6075,1244,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ethylamine,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 6076,1244,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ethylamine,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 6077,1244,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ethylamine,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 6078,1244,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,pos_1_1proton1ethylamine,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 6079,1244,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,pos_1_1proton1ethylamine,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 6080,1244,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,QOLJILMTPKQQQA-JGMJVPOWSA-N,"InChI=1S/C19H34O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12+,14-,15-,16+,17-,18-/m1/s1",CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H34O7,pos_1_1proton1acetonitrile,374.230453428,QOLJILMTPKQQQA,Terpenoids,Apocarotenoids,Megastigmanes,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 6081,1244,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,QOLJILMTPKQQQA-JGMJVPOWSA-N,"InChI=1S/C19H34O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12+,14-,15-,16+,17-,18-/m1/s1",CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H34O7,pos_1_1proton1acetonitrile,374.230453428,QOLJILMTPKQQQA,Terpenoids,Apocarotenoids,Megastigmanes,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 6082,1243,-1,,,,0.0,MS1_match,ZCNREQTVGGXJTO-YEEDDRBPSA-N,"InChI=1S/C18H32O10/c1-3-4-5-6-7-25-17-16(24)14(22)12(20)10(28-17)8-26-18-15(23)13(21)11(19)9(2)27-18/h4-5,9-24H,3,6-8H2,1-2H3/t9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1",CCC=CCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H32O10,pos_1_1proton1ammonium,408.199547224,ZCNREQTVGGXJTO,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 6083,1240,-1,,,,0.57803166,ISDB,LZVUKJJVOUNEDB-UHFFFAOYSA-N,"InChI=1S/C14H18O3/c1-8(2)5-6-11-12(16)7-9(3)13(10(4)15)14(11)17/h5,7,16-17H,6H2,1-4H3",CC(=O)c1c(C)cc(O)c(CC=C(C)C)c1O,C14H18O3,,234.125594436,LZVUKJJVOUNEDB,Polyketides,,,Pestalotiopsis,443192.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Xylariales'],['Amphisphaeriaceae'],['Unknown'],['Pestalotiopsis'],['Unknown'],0,0,2.312126636505127 6084,1238,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 6085,1238,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 6086,1238,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 6087,1238,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 6088,1232,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.76503175,ISDB,ZCCLDKGWJIREQF-PDBXOOCHSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,C21H36O4,,352.261359632,ZCCLDKGWJIREQF,Fatty acids,Glycerolipids,Monoacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,2,8.060127019882202 6089,1230,-1,,,,0.5204386,ISDB,,,,,,,HWXXMGOMTMMYFC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.081754446029663 6090,1229,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,1,7.5 6091,1228,-1,,,,0.34598202,ISDB,XRXZKBAAJAKIMB-AXOAYYPZSA-N,"InChI=1S/C28H40O2/c1-17(2)18(3)7-8-19(4)24-16-25(30)26-22-10-9-20-15-21(29)11-13-27(20,5)23(22)12-14-28(24,26)6/h7-10,15,17-19,21,23-24,29H,11-14,16H2,1-6H3/b8-7+/t18-,19+,21-,23-,24+,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC(=O)C2=C3C=CC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O2,,408.30283052,XRXZKBAAJAKIMB,Terpenoids,Steroids,Ergostane steroids,Arachniotus dankaliensis,580679.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Onygenales'],['Gymnoascaceae'],['Unknown'],['Gymnascella'],['Gymnascella dankaliensis'],1,0,2.383928060531616 6092,1226,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSMVZQYAVGTKIV-UHFFFAOYSA-N,"InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3",CCCCCCCCCC=O,C10H20O,pos_1_1proton1acetonitrile,156.15141526,KSMVZQYAVGTKIV,Fatty acids,Fatty acyls,Fatty aldehydes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 6093,1226,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WTEVQBCEXWBHNA-YFHOEESVSA-N,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-",CC(C)=CCC/C(C)=C\C=O,C10H16O,pos_1_1proton1ethylamine,152.120115132,WTEVQBCEXWBHNA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 6094,1226,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NOOLISFMXDJSKH-UHFFFAOYSA-N,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",CC1CCC(C(C)C)C(O)C1,C10H20O,pos_1_1proton1acetonitrile,156.15141526,NOOLISFMXDJSKH,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 6095,1224,135,Fatty acids,Fatty esters,Wax monoesters,0.23082381,ISDB,,,,,,,JJVRZRKVKYGUEV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.923295259475708 6096,1219,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.40799445,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,11.131977796554565 6097,1215,-1,,,,0.0,MS1_match,BTFJIXJJCSYFAL-UHFFFAOYSA-N,"InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3",CCCCCCCCCCCCCCCCCCCCO,C20H42O,pos_1_minus1proton2sodium,298.323565964,BTFJIXJJCSYFAL,Fatty acids,Fatty acyls,Fatty alcohols,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 6098,1215,-1,,,,0.0,MS1_match,BTFJIXJJCSYFAL-UHFFFAOYSA-N,"InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3",CCCCCCCCCCCCCCCCCCCCO,C20H42O,pos_1_minus1proton2sodium,298.323565964,BTFJIXJJCSYFAL,Fatty acids,Fatty acyls,Fatty alcohols,Pyracantha angustifolia,1099101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha angustifolia'],7,0,7.0 6099,1214,-1,,,,0.0,MS1_match,QTXBUQHQOMWGJN-SNVBAGLBSA-N,"InChI=1S/C15H18O3/c1-9(2)10-4-5-11-6-12(16)8-14(13(11)7-10)15(17)18-3/h6,8,10,16H,1,4-5,7H2,2-3H3/t10-/m1/s1",C=C(C)[C@@H]1CCc2cc(O)cc(C(=O)OC)c2C1,C15H18O3,pos_1_minus1proton2sodium,246.125594436,QTXBUQHQOMWGJN,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 6100,1214,-1,,,,0.0,MS1_match,VTEFIBXQBGMXNK-QVHKTLOISA-N,"InChI=1S/C15H18O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h4,11-13H,2,5-7H2,1,3H3/t11-,12+,13-,15-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]3(C)CC(=O)C=C(C)[C@@H]3C[C@H]12,C15H18O3,pos_1_minus1proton2sodium,246.125594436,VTEFIBXQBGMXNK,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Crataegus sanguinea,60981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus sanguinea'],7,0,7.0 6101,1213,-1,,,,0.83666384,ISDB,QCPKSTMYFZPGOX-RMYDJVHWSA-N,"InChI=1S/C25H24O15/c1-36-13-4-9(2-3-11(13)27)23-24(20(33)18-12(28)5-10(26)6-14(18)38-23)40-25-22(35)21(34)19(32)15(39-25)8-37-17(31)7-16(29)30/h2-6,15,19,21-22,25-28,32,34-35H,7-8H2,1H3,(H,29,30)/t15-,19-,21+,22-,25?/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C25H24O15,,564.111520068,QCPKSTMYFZPGOX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phyteuma orbiculare,743259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Phyteuma'],['Phyteuma orbiculare'],4,0,7.346655368804932 6102,1211,142,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,WWRCMNKATXZARA-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3",Cc1ccccc1C(C)C,C10H14,pos_1_1proton,134.109550448,WWRCMNKATXZARA,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 6103,1210,208,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7849963,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,1,11.639985084533691 6104,1209,71,Fatty acids,Sphingolipids,Other Octadecanoids,0.63136065,ISDB,CQKNELOTFUSOTP-HMTIOLNVSA-N,"InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H37NO3,,315.277344044,CQKNELOTFUSOTP,Fatty acids,Sphingolipids,Sphingoid bases,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,2,7.525442600250244 6105,1209,71,Fatty acids,Sphingolipids,Other Octadecanoids,0.63136065,ISDB,CQKNELOTFUSOTP-HMTIOLNVSA-N,"InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H37NO3,,315.277344044,CQKNELOTFUSOTP,Fatty acids,Sphingolipids,Sphingoid bases,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,2,7.525442600250244 6106,1207,142,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,XEJKMPUDEZRWRD-ARQDATDDSA-N,"InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-10-11-17(21(23)24)22-13-12-15-18(22)14-16-19(15)20(16)22/h3-8,12-13,15-20H,2,9-11,14H2,1H3,(H,23,24)/b4-3+,6-5+,8-7+",CC/C=C/C=C/C=C/CCCC(C(=O)O)C12C=CC3C4C(CC31)C42,C22H28O2,pos_2_2proton,324.208930136,XEJKMPUDEZRWRD,Polyketides,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 6107,1206,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1sodium,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 6108,1206,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1sodium,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 6109,1206,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1sodium,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 6110,1206,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1sodium,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 6111,1206,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1sodium,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 6112,1206,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1sodium,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 6113,1205,-1,,,,0.0,MS1_match,NILGFPDWHHOUSF-IOLHSJAOSA-N,"InChI=1S/C27H38O11/c1-14-11-20(32)12-27(7,8)21(14)10-9-15(2)34-26-25(37-19(6)31)24(36-18(5)30)23(35-17(4)29)22(38-26)13-33-16(3)28/h9-11,15,21-26H,12-13H2,1-8H3/b10-9+/t15-,21-,22-,23-,24+,25-,26-/m1/s1",CC(=O)OC[C@H]1O[C@@H](O[C@H](C)/C=C/[C@@H]2C(C)=CC(=O)CC2(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C27H38O11,pos_1_1potassium,538.241412036,NILGFPDWHHOUSF,Terpenoids,Apocarotenoids,Megastigmanes,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 6114,1196,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9665461,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,11.36618447303772 6115,1196,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9665461,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,11.36618447303772 6116,1196,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9665461,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus glaucus,896757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus glaucus'],6,3,11.36618447303772 6117,1193,960,Terpenoids,Triterpenoids,Abeolupane triterpenoids,0.34924966,ISDB,MSWXOBSOIDJLPM-IYXPNRLESA-N,"InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-36(5)27(32(26)39)13-14-30-37(36,6)18-17-29-35(3,4)33(42)28(38(29,30)7)22-45-31(41)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40,42H,1,13-14,16-22H2,2-7H3,(H,43,44)/b15-10+/t26-,27+,28+,29-,30-,32+,33+,36+,37+,38-,39-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](COC(=O)/C=C/c6ccc(O)cc6)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H54O6,,618.392039448,MSWXOBSOIDJLPM,Terpenoids,Triterpenoids,Abeolupane triterpenoids,Paliurus hemsleyanus,531921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Paliurus'],['Paliurus hemsleyanus'],5,3,7.896998643875122 6118,1189,-1,,,,0.0,MS1_match,SYRQWOHSFOHYCI-RDRHTQILSA-N,"InChI=1S/C16H24O9/c1-6(2)3-7-14-10(15(21)25-14)9(23-7)5-22-16-13(20)12(19)11(18)8(4-17)24-16/h3,7-14,16-20H,4-5H2,1-2H3/t7-,8-,9+,10+,11-,12+,13-,14-,16-/m1/s1",CC(C)=C[C@H]1O[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(=O)O[C@@H]21,C16H24O9,pos_1_1proton1ammonium,360.142032348,SYRQWOHSFOHYCI,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 6119,1189,-1,,,,0.0,MS1_match,SYRQWOHSFOHYCI-RDRHTQILSA-N,"InChI=1S/C16H24O9/c1-6(2)3-7-14-10(15(21)25-14)9(23-7)5-22-16-13(20)12(19)11(18)8(4-17)24-16/h3,7-14,16-20H,4-5H2,1-2H3/t7-,8-,9+,10+,11-,12+,13-,14-,16-/m1/s1",CC(C)=C[C@H]1O[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(=O)O[C@@H]21,C16H24O9,pos_1_1proton1ammonium,360.142032348,SYRQWOHSFOHYCI,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 6120,1189,-1,,,,0.0,MS1_match,PWFYKSAKCMTDRH-BMMXIUAKSA-N,"InChI=1S/C16H24O9/c1-22-10-4-3-8(5-11(10)23-2)9(18)7-24-16-15(21)14(20)13(19)12(6-17)25-16/h3-5,9,12-21H,6-7H2,1-2H3/t9-,12-,13-,14+,15-,16-/m0/s1",COc1ccc([C@@H](O)CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1OC,C16H24O9,pos_1_1proton1ammonium,360.1420323479999,PWFYKSAKCMTDRH,Shikimates and Phenylpropanoids,Lignans,,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,0,6.0 6121,1189,-1,,,,0.0,MS1_match,PWFYKSAKCMTDRH-BMMXIUAKSA-N,"InChI=1S/C16H24O9/c1-22-10-4-3-8(5-11(10)23-2)9(18)7-24-16-15(21)14(20)13(19)12(6-17)25-16/h3-5,9,12-21H,6-7H2,1-2H3/t9-,12-,13-,14+,15-,16-/m0/s1",COc1ccc([C@@H](O)CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1OC,C16H24O9,pos_1_1proton1ammonium,360.1420323479999,PWFYKSAKCMTDRH,Shikimates and Phenylpropanoids,Lignans,,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,0,6.0 6122,1189,-1,,,,0.0,MS1_match,NOQYJICHFNSIFZ-DIACKHNESA-N,"InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3/t9-,10-,11+,12-,14+/m1/s1",COc1cc(O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H20O9,pos_1_1proton1ethylamine,332.11073221999993,NOQYJICHFNSIFZ,,,,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 6123,1189,-1,,,,0.0,MS1_match,NOQYJICHFNSIFZ-DIACKHNESA-N,"InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3/t9-,10-,11+,12-,14+/m1/s1",COc1cc(O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H20O9,pos_1_1proton1ethylamine,332.11073221999993,NOQYJICHFNSIFZ,,,,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 6124,1187,711,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.5734576,ISDB,DBHKHNGBVGWQJE-USWSLJGRSA-N,"InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H44NO7P,,477.285539378,DBHKHNGBVGWQJE,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,7.793830394744873 6125,1184,-1,,,,0.0,MS1_match,SHZMGEYUEFSGCM-DNRYLMBSSA-N,"InChI=1S/C15H20O8/c1-6-4-8(17)7-2-3-21-14(10(6)7)23-15-13(20)12(19)11(18)9(5-16)22-15/h2-4,7,9-16,18-20H,5H2,1H3/t7-,9+,10+,11+,12-,13+,14-,15-/m0/s1",CC1=CC(=O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H20O8,pos_1_1sodium,328.1158176,SHZMGEYUEFSGCM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 6126,1181,208,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.49323377,ISDB,XOFDOXJFXCEFDE-CYBMUJFWSA-N,"InChI=1S/C13H18/c1-10-6-7-11-12(2,3)8-5-9-13(10,11)4/h5-7,9H,8H2,1-4H3/t13-/m1/s1",CC1=CC=C2C(C)(C)CC=C[C@]12C,C13H18,,174.140850576,XOFDOXJFXCEFDE,Terpenoids,Monoterpenoids,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,1,9.47293508052826 6127,1180,-1,,,,0.0,MS1_match,QOEHNLSDMADWEF-UHFFFAOYSA-N,"InChI=1S/C32H66O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33/h33H,2-32H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO,C32H66O,pos_1_1proton2acetonitrile,466.511366732,QOEHNLSDMADWEF,Fatty acids,Fatty acyls,Fatty alcohols,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],6,0,6.0 6128,1179,73,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,AUPMFUOQLMOLGB-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h17-18,20-23,28H,2-16,19,24H2,1H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H44O3,pos_1_1proton,416.329045268,AUPMFUOQLMOLGB,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6129,1179,73,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,AUPMFUOQLMOLGB-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h17-18,20-23,28H,2-16,19,24H2,1H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H44O3,pos_1_1proton,416.329045268,AUPMFUOQLMOLGB,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 6130,1178,-1,,,,0.0,MS1_match,KTINUDQBMALVIX-IWVJKAJDSA-N,"InChI=1S/C31H50O6/c1-18-10-13-31(25(35)37-7)15-14-28(4)19(23(31)30(18,6)36)8-9-22-26(2)16-20(33)24(34)27(3,17-32)21(26)11-12-29(22,28)5/h8,18,20-24,32-34,36H,9-17H2,1-7H3/t18-,20-,21-,22-,23-,24-,26+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O6,pos_1_minus1proton1iron,518.3607393199999,KTINUDQBMALVIX,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 6131,1178,-1,,,,0.0,MS1_match,KTINUDQBMALVIX-IWVJKAJDSA-N,"InChI=1S/C31H50O6/c1-18-10-13-31(25(35)37-7)15-14-28(4)19(23(31)30(18,6)36)8-9-22-26(2)16-20(33)24(34)27(3,17-32)21(26)11-12-29(22,28)5/h8,18,20-24,32-34,36H,9-17H2,1-7H3/t18-,20-,21-,22-,23-,24-,26+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O6,pos_1_minus1proton1iron,518.3607393199999,KTINUDQBMALVIX,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus xanthocarpus,3907075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus xanthocarpus'],6,0,6.0 6132,1178,-1,,,,0.0,MS1_match,KTINUDQBMALVIX-IWVJKAJDSA-N,"InChI=1S/C31H50O6/c1-18-10-13-31(25(35)37-7)15-14-28(4)19(23(31)30(18,6)36)8-9-22-26(2)16-20(33)24(34)27(3,17-32)21(26)11-12-29(22,28)5/h8,18,20-24,32-34,36H,9-17H2,1-7H3/t18-,20-,21-,22-,23-,24-,26+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O6,pos_1_minus1proton1iron,518.3607393199999,KTINUDQBMALVIX,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 6133,1178,-1,,,,0.0,MS1_match,KTINUDQBMALVIX-IWVJKAJDSA-N,"InChI=1S/C31H50O6/c1-18-10-13-31(25(35)37-7)15-14-28(4)19(23(31)30(18,6)36)8-9-22-26(2)16-20(33)24(34)27(3,17-32)21(26)11-12-29(22,28)5/h8,18,20-24,32-34,36H,9-17H2,1-7H3/t18-,20-,21-,22-,23-,24-,26+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O6,pos_1_minus1proton1iron,518.3607393199999,KTINUDQBMALVIX,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus xanthocarpus,3907075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus xanthocarpus'],6,0,6.0 6134,1178,-1,,,,0.0,MS1_match,RFCWIDTZVWTUPH-FPLUOKDJSA-N,"InChI=1S/C31H50O6/c1-17-9-12-31(25(35)37-8)14-13-28(5)18(22(31)30(17,7)36)15-19(32)23-27(4)16-20(33)24(34)26(2,3)21(27)10-11-29(23,28)6/h15,17,19-24,32-34,36H,9-14,16H2,1-8H3/t17-,19-,20-,21+,22-,23-,24+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=C[C@@H](O)[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O6,pos_1_minus1proton1iron,518.3607393199999,RFCWIDTZVWTUPH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 6135,1177,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 6136,1177,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OPGYGNEESA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 6137,1177,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6138,1177,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 6139,1177,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 6140,1177,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 6141,1177,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6142,1177,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 6143,1177,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 6144,1177,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 6145,1177,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 6146,1177,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 6147,1177,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6148,1177,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OPGYGNEESA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 6149,1177,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6150,1177,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 6151,1177,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 6152,1177,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 6153,1177,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 6154,1177,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 6155,1177,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 6156,1177,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 6157,1173,-1,,,,0.0,MS1_match,BTFJIXJJCSYFAL-UHFFFAOYSA-N,"InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3",CCCCCCCCCCCCCCCCCCCCO,C20H42O,pos_1_1proton1acetonitrile,298.323565964,BTFJIXJJCSYFAL,Fatty acids,Fatty acyls,Fatty alcohols,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 6158,1173,-1,,,,0.0,MS1_match,BTFJIXJJCSYFAL-UHFFFAOYSA-N,"InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3",CCCCCCCCCCCCCCCCCCCCO,C20H42O,pos_1_1proton1acetonitrile,298.323565964,BTFJIXJJCSYFAL,Fatty acids,Fatty acyls,Fatty alcohols,Pyracantha angustifolia,1099101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha angustifolia'],7,0,7.0 6159,1170,-1,,,,0.0,MS1_match,DUUVLSQFLIAPFQ-UHFFFAOYSA-N,"InChI=1S/C44H88O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-16-14-12-10-8-6-4-2/h3-43H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,C44H88O2,pos_2_2proton2acetonitrile,648.678432056,DUUVLSQFLIAPFQ,Fatty acids,Fatty esters,Wax monoesters,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 6160,1166,141,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HUKWADINTARKBT-DDYRGYEHSA-N,"InChI=1S/C23H23NO9/c24-11-17(14-4-2-1-3-5-14)32-23-22(30)21(29)20(28)18(33-23)12-31-19(27)9-7-13-6-8-15(25)16(26)10-13/h1-10,17-18,20-23,25-26,28-30H,12H2/b9-7+/t17-,18+,20+,21-,22+,23+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C23H23NO9,pos_1_1proton1isopropanol,457.137281316,HUKWADINTARKBT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],6,3,7.5 6161,1166,141,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HUKWADINTARKBT-DDYRGYEHSA-N,"InChI=1S/C23H23NO9/c24-11-17(14-4-2-1-3-5-14)32-23-22(30)21(29)20(28)18(33-23)12-31-19(27)9-7-13-6-8-15(25)16(26)10-13/h1-10,17-18,20-23,25-26,28-30H,12H2/b9-7+/t17-,18+,20+,21-,22+,23+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C23H23NO9,pos_1_1proton1isopropanol,457.137281316,HUKWADINTARKBT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],6,3,7.5 6162,1166,141,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UPASGSSMBIZMDX-WNENLGFLSA-N,"InChI=1S/C24H28O10/c1-31-18-12-15(4-8-17(18)26)5-9-20(27)33-13-19-21(28)22(29)23(30)24(34-19)32-11-10-14-2-6-16(25)7-3-14/h2-9,12,19,21-26,28-30H,10-11,13H2,1H3/b9-5+/t19-,21-,22+,23-,24-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C24H28O10,pos_1_1proton1acetonitrile,476.168247096,UPASGSSMBIZMDX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],6,3,7.5 6163,1165,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,pos_1_1sodium,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 6164,1165,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,CXQWRCVTCMQVQX-UHFFFAOYSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O7,pos_1_1sodium,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],8,0,8.0 6165,1165,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,pos_1_1sodium,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 6166,1165,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,CXQWRCVTCMQVQX-UHFFFAOYSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O7,pos_1_1sodium,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,0,8.0 6167,1165,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,pos_1_1sodium,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 6168,1165,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,pos_1_1sodium,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 6169,1165,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,pos_1_1sodium,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 6170,1165,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,pos_1_1sodium,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus fruticosa,821200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus fruticosa'],8,0,8.0 6171,1162,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.51200616,ISDB,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,1,10.548024654388428 6172,1162,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.51200616,ISDB,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,10.548024654388428 6173,1162,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.51200616,ISDB,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,1,10.548024654388428 6174,1162,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.51200616,ISDB,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,1,10.548024654388428 6175,1161,-1,,,,0.0,MS1_match,JBBSYDONQXCLOU-UHFFFAOYSA-N,"InChI=1S/C29H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(30)33-27-24-22-26(23-25-27)29(31)32/h9-10,22-25H,2-8,11-21H2,1H3,(H,31,32)",CCCCCCCCC=CCCCCCCCCCCCC(=O)Oc1ccc(C(=O)O)cc1,C29H46O4,pos_1_1sodium1acetonitrile,458.339609952,JBBSYDONQXCLOU,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 6176,1161,-1,,,,0.0,MS1_match,JBBSYDONQXCLOU-UHFFFAOYSA-N,"InChI=1S/C29H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(30)33-27-24-22-26(23-25-27)29(31)32/h9-10,22-25H,2-8,11-21H2,1H3,(H,31,32)",CCCCCCCCC=CCCCCCCCCCCCC(=O)Oc1ccc(C(=O)O)cc1,C29H46O4,pos_1_1sodium1acetonitrile,458.339609952,JBBSYDONQXCLOU,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6177,1160,793,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VADSVXSGIFBZLI-UHFFFAOYSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3",C=CCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1,C16H22O7,pos_1_1proton1ammonium,326.1365530439999,VADSVXSGIFBZLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 6178,1156,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9576634,ISDB,XEXCLTHHXIWUHO-UHFFFAOYSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C24H22O14,,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,11.330653667449951 6179,1156,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9576634,ISDB,XEXCLTHHXIWUHO-UHFFFAOYSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C24H22O14,,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,11.330653667449951 6180,1155,530,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ammonium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 6181,1155,530,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ammonium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 6182,1155,530,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 6183,1155,530,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 6184,1155,530,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 6185,1155,530,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 6186,1152,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ammonium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,1,8.5 6187,1152,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ammonium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 6188,1152,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ammonium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 6189,1151,-1,,,,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1acetonitrile,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6190,1151,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6191,1151,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 6192,1151,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 6193,1151,-1,,,,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1acetonitrile,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6194,1151,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 6195,1151,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OPGYGNEESA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 6196,1151,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6197,1151,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 6198,1151,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 6199,1151,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 6200,1151,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 6201,1151,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 6202,1151,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 6203,1151,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 6204,1151,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 6205,1151,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 6206,1151,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6207,1151,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OPGYGNEESA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 6208,1151,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6209,1151,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 6210,1151,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 6211,1151,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 6212,1151,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 6213,1150,-1,,,,0.0,MS1_match,YYELUJGOTWMDNG-CBHOWOPOSA-N,"InChI=1S/C21H24O12/c22-4-3-9-1-2-14(11(23)5-9)32-21-19(29)18(28)17(27)15(33-21)8-31-20(30)10-6-12(24)16(26)13(25)7-10/h1-2,5-7,15,17-19,21-29H,3-4,8H2/t15-,17-,18+,19-,21-/m0/s1",O=C(OC[C@@H]1O[C@H](Oc2ccc(CCO)cc2O)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C21H24O12,pos_1_1sodium,468.1267762079998,YYELUJGOTWMDNG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 6214,1150,-1,,,,0.0,MS1_match,YYELUJGOTWMDNG-CBHOWOPOSA-N,"InChI=1S/C21H24O12/c22-4-3-9-1-2-14(11(23)5-9)32-21-19(29)18(28)17(27)15(33-21)8-31-20(30)10-6-12(24)16(26)13(25)7-10/h1-2,5-7,15,17-19,21-29H,3-4,8H2/t15-,17-,18+,19-,21-/m0/s1",O=C(OC[C@@H]1O[C@H](Oc2ccc(CCO)cc2O)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C21H24O12,pos_1_1sodium,468.1267762079998,YYELUJGOTWMDNG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 6215,1150,-1,,,,0.0,MS1_match,VLFYHWVOQTYYFO-PEVLUNPASA-N,"InChI=1S/C21H24O12/c22-4-3-9-1-2-11(23)14(5-9)32-21-19(29)18(28)17(27)15(33-21)8-31-20(30)10-6-12(24)16(26)13(25)7-10/h1-2,5-7,15,17-19,21-29H,3-4,8H2/t15-,17-,18+,19-,21-/m1/s1",O=C(OC[C@H]1O[C@@H](Oc2cc(CCO)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C21H24O12,pos_1_1sodium,468.126776208,VLFYHWVOQTYYFO,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rosa cymosa,868176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa cymosa'],6,0,6.0 6216,1149,302,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,IZEUIYYDWBKERE-ZRODXFKISA-N,"InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C31H50O2,pos_1_minus1proton1iron,454.3810808399999,IZEUIYYDWBKERE,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 6217,1149,302,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,IZEUIYYDWBKERE-ZRODXFKISA-N,"InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C31H50O2,pos_1_minus1proton1iron,454.3810808399999,IZEUIYYDWBKERE,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 6218,1148,-1,,,,0.0,MS1_match,ZTJFINKUHDHOSM-KEJCWXRGSA-N,"InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,20-21,23-27,30H,2,7,11-18H2,1,3-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1",C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)CC,C29H46O,pos_1_minus1proton1iron,410.3548660919999,ZTJFINKUHDHOSM,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 6219,1148,-1,,,,0.0,MS1_match,ZTJFINKUHDHOSM-KEJCWXRGSA-N,"InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,20-21,23-27,30H,2,7,11-18H2,1,3-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1",C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)CC,C29H46O,pos_1_minus1proton1iron,410.3548660919999,ZTJFINKUHDHOSM,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 6220,1147,876,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,0.0,MS1_match,ZCNREQTVGGXJTO-YEEDDRBPSA-N,"InChI=1S/C18H32O10/c1-3-4-5-6-7-25-17-16(24)14(22)12(20)10(28-17)8-26-18-15(23)13(21)11(19)9(2)27-18/h4-5,9-24H,3,6-8H2,1-2H3/t9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1",CCC=CCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H32O10,pos_1_minus1proton2sodium,408.199547224,ZCNREQTVGGXJTO,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 6221,1144,668,,,,0.33587506,ISDB,,,,,,,JKIBIUKLWMZLGX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3435002565383911 6222,1143,-1,,,,0.0,MS1_match,RQJUAEBONLZLLI-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(30)32-23-18-19-25-21-22-26(29)27(24-25)31-2/h18-19,21-22,24,29H,3-17,20,23H2,1-2H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)c(OC)c1,C28H46O4,pos_1_1proton1methanol,446.339609952,RQJUAEBONLZLLI,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 6223,1143,-1,,,,0.0,MS1_match,RQJUAEBONLZLLI-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(30)32-23-18-19-25-21-22-26(29)27(24-25)31-2/h18-19,21-22,24,29H,3-17,20,23H2,1-2H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)c(OC)c1,C28H46O4,pos_1_1proton1methanol,446.339609952,RQJUAEBONLZLLI,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6224,1143,-1,,,,0.0,MS1_match,YIBOXUZUHGOJRD-UHFFFAOYSA-N,"InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26(28)30-21-16-17-23-19-20-24(27)25(22-23)29-2/h16-17,19-20,22,27H,3-15,18,21H2,1-2H3",CCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)c(OC)c1,C26H42O4,pos_1_1proton1isopropanol,418.308309824,YIBOXUZUHGOJRD,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 6225,1143,-1,,,,0.0,MS1_match,YIBOXUZUHGOJRD-UHFFFAOYSA-N,"InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26(28)30-21-16-17-23-19-20-24(27)25(22-23)29-2/h16-17,19-20,22,27H,3-15,18,21H2,1-2H3",CCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)c(OC)c1,C26H42O4,pos_1_1proton1isopropanol,418.308309824,YIBOXUZUHGOJRD,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6226,1139,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.3983469,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,11.093387603759766 6227,1138,-1,,,,0.32664815,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,0,5.306592583656311 6228,1138,-1,,,,0.32664815,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,0,5.306592583656311 6229,1138,-1,,,,0.32664815,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,0,5.306592583656311 6230,1138,-1,,,,0.32664815,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,0,5.306592583656311 6231,1138,-1,,,,0.32664815,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper guineense,233005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper guineense'],4,0,5.306592583656311 6232,1138,-1,,,,0.32664815,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],4,0,5.306592583656311 6233,1134,208,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.48091176,ISDB,XOFDOXJFXCEFDE-CYBMUJFWSA-N,"InChI=1S/C13H18/c1-10-6-7-11-12(2,3)8-5-9-13(10,11)4/h5-7,9H,8H2,1-4H3/t13-/m1/s1",CC1=CC=C2C(C)(C)CC=C[C@]12C,C13H18,,174.140850576,XOFDOXJFXCEFDE,Terpenoids,Monoterpenoids,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,1,9.423647046089172 6234,1132,417,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,pos_1_1proton1methanol,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 6235,1132,417,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,pos_1_1proton1methanol,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6236,1132,417,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1methanol,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 6237,1132,417,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1methanol,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 6238,1131,417,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.32234007,ISDB,ODBLHEXUDAPZAU-UHFFFAOYSA-N,"InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)",O=C(O)CC(C(=O)O)C(O)C(=O)O,C6H8O7,,192.027002596,ODBLHEXUDAPZAU,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,8.789360284805298 6239,1131,417,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.32234007,ISDB,ODBLHEXUDAPZAU-ZAFYKAAXSA-N,"InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4+/m0/s1",O=C(O)C[C@H](C(=O)O)[C@@H](O)C(=O)O,C6H8O7,,192.027002596,ODBLHEXUDAPZAU,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,8.789360284805298 6240,1130,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,1,8.5 6241,1130,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 6242,1130,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,1,8.5 6243,1130,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 6244,1130,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 6245,1130,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 6246,1130,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,1,8.5 6247,1130,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,1,8.5 6248,1130,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,1,8.5 6249,1130,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 6250,1130,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,1,8.5 6251,1130,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,1,8.5 6252,1130,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,1,8.5 6253,1130,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 6254,1130,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_2_2proton3acetonitrile,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,1,8.5 6255,1128,-1,,,,0.5448809,ISDB,GNZWXNKZMHJXNU-UHFFFAOYSA-N,"InChI=1S/C7H11NO/c1-6(9)7-4-2-3-5-8-7/h2-5H2,1H3",CC(=O)C1=NCCCC1,C7H11NO,,125.084063972,GNZWXNKZMHJXNU,Alkaloids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,0,6.179523706436157 6256,1127,417,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.49263588,ISDB,GTZCVFVGUGFEME-UHFFFAOYSA-N,"InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)",O=C(O)C=C(CC(=O)O)C(=O)O,C6H6O6,,174.016437912,GTZCVFVGUGFEME,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Helinus integrifolius,88667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Gouanieae'],['Helinus'],['Helinus integrifolius'],5,3,8.470543503761292 6257,1127,417,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.49263588,ISDB,GTZCVFVGUGFEME-UHFFFAOYSA-N,"InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)",O=C(O)C=C(CC(=O)O)C(=O)O,C6H6O6,,174.016437912,GTZCVFVGUGFEME,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Helinus ovatus,88667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Gouanieae'],['Helinus'],['Helinus integrifolius'],5,3,8.470543503761292 6258,1125,-1,,,,0.4413355,ISDB,VAXHELKDGGSASL-PYTCMNEWSA-N,"InChI=1S/C19H28O7/c1-19(2)7-12(21)6-11-5-10(3-4-13(11)19)9-25-18-17(24)16(23)15(22)14(8-20)26-18/h5-6,13-18,20,22-24H,3-4,7-9H2,1-2H3/t13-,14+,15+,16-,17+,18+/m0/s1",CC1(C)CC(=O)C=C2C=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@H]21,C19H28O7,,368.183503236,VAXHELKDGGSASL,Terpenoids,Apocarotenoids,Megastigmanes,Sedum sarmentosum,810620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sarmentosum'],4,0,5.7653419971466064 6259,1123,-1,,,,0.0,MS1_match,MRPJBTFHICBFNE-UHFFFAOYSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3",COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2=O,C16H14O7,pos_1_1sodium,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],6,0,6.0 6260,1123,-1,,,,0.0,MS1_match,MRPJBTFHICBFNE-JKSUJKDBSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3/t15-,16+/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2=O,C16H14O7,pos_1_1sodium,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],6,0,6.0 6261,1122,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,UHUFTBALEZWWIH-UHFFFAOYSA-N,"InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3",CCCCCCCCCCCCCC=O,C14H28O,pos_1_1proton1acetonitrile,212.214015516,UHUFTBALEZWWIH,Fatty acids,Fatty acyls,Fatty aldehydes,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 6262,1122,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,UTOPWMOLSKOLTQ-UHFFFAOYSA-N,"InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)",CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C28H56O2,pos_2_2proton2acetonitrile,424.4280310319999,UTOPWMOLSKOLTQ,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 6263,1120,659,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.54606545,ISDB,RUVINXPYWBROJD-ONEGZZNKSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+",C/C=C/c1ccc(OC)cc1,C10H12O,,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,3,11.684261798858643 6264,1119,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.76446503,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,13.557860136032104 6265,1117,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,WLAMNBDJUVNPJU-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)",CCC(C)C(=O)O,C5H10O2,pos_1_1proton1acetonitrile,102.06807956,WLAMNBDJUVNPJU,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 6266,1117,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,WLAMNBDJUVNPJU-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)",CCC(C)C(=O)O,C5H10O2,pos_1_1proton1acetonitrile,102.06807956,WLAMNBDJUVNPJU,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 6267,1117,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,WLAMNBDJUVNPJU-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)",CCC(C)C(=O)O,C5H10O2,pos_1_1proton1acetonitrile,102.06807956,WLAMNBDJUVNPJU,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 6268,1117,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,GWYFCOCPABKNJV-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",CC(C)CC(=O)O,C5H10O2,pos_1_1proton1acetonitrile,102.06807956,GWYFCOCPABKNJV,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 6269,1117,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,GWYFCOCPABKNJV-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",CC(C)CC(=O)O,C5H10O2,pos_1_1proton1acetonitrile,102.06807956,GWYFCOCPABKNJV,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 6270,1117,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,GWYFCOCPABKNJV-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",CC(C)CC(=O)O,C5H10O2,pos_1_1proton1acetonitrile,102.06807956,GWYFCOCPABKNJV,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 6271,1117,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,WQEPLUUGTLDZJY-UHFFFAOYSA-N,"InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)",CCCCCCCCCCCCCCC(=O)O,C15H30O2,pos_2_2sodium,242.2245802,WQEPLUUGTLDZJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 6272,1117,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,GWYFCOCPABKNJV-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",CC(C)CC(=O)O,C5H10O2,pos_1_1proton1acetonitrile,102.06807956,GWYFCOCPABKNJV,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 6273,1116,353,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.22370774,ISDB,AZHYCXWIUXJIHK-UHFFFAOYSA-N,"InChI=1S/C14H27NO3/c1-11-13(16)10-9-12(15-11)7-5-3-2-4-6-8-14(17)18/h11-13,15-16H,2-10H2,1H3,(H,17,18)",CC1NC(CCCCCCCC(=O)O)CCC1O,C14H27NO3,,257.199093724,AZHYCXWIUXJIHK,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Carica papaya,429474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Caricaceae'],['Unknown'],['Carica'],['Carica papaya'],0,3,2.3948309421539307 6274,1113,-1,,,,0.0,MS1_match,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,pos_1_1proton1ethylamine,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 6275,1113,-1,,,,0.0,MS1_match,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,pos_1_1proton1ethylamine,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 6276,1112,267,Terpenoids,Apocarotenoids,Megastigmanes,0.37750506,ISDB,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,10.01002025604248 6277,1106,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,UBWUZHMCADSLDT-SOHRVHQUSA-N,"InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C21H36O8,pos_1_1proton1ammonium,416.241018112,UBWUZHMCADSLDT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,1,6.5 6278,1104,-1,,,,0.0,MS1_match,AOEGDCIKXAEIGZ-UHFFFAOYSA-N,"InChI=1S/C60H52O26/c61-27-9-1-23(2-10-27)39-40(24-3-11-28(62)12-4-24)44(58(78)80-22-38-46(70)50(74)52(76)60(84-38)86-56-48(72)42-34(68)18-32(66)20-36(42)82-54(56)26-7-15-30(64)16-8-26)43(39)57(77)79-21-37-45(69)49(73)51(75)59(83-37)85-55-47(71)41-33(67)17-31(65)19-35(41)81-53(55)25-5-13-29(63)14-6-25/h1-20,37-40,43-46,49-52,59-70,73-76H,21-22H2",O=C(OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O)C1C(C(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(c2ccc(O)cc2)C1c1ccc(O)cc1,C60H52O26,pos_2_2sodium,1188.274681784,AOEGDCIKXAEIGZ,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 6279,1104,-1,,,,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1potassium,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 6280,1104,-1,,,,0.0,MS1_match,DVGGLGXQSFURLP-UHFFFAOYSA-N,"InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2",O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C30H26O13,pos_1_1sodium,594.137340892,DVGGLGXQSFURLP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 6281,1104,-1,,,,0.0,MS1_match,PUXKQFMZRYJBBE-ZJBBONHWSA-N,"InChI=1S/C27H30O14/c1-9(28)23-20(34)22(36)27(40-23)41-25-18(32)16-14(30)7-13(38-26-21(35)19(33)17(31)10(2)37-26)8-15(16)39-24(25)11-3-5-12(29)6-4-11/h3-10,17,19-23,26-31,33-36H,1-2H3/t9-,10+,17+,19-,20+,21-,22-,23-,26+,27+/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)c3c2=O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1potassium,578.16355564,PUXKQFMZRYJBBE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 6282,1104,-1,,,,0.0,MS1_match,DVGGLGXQSFURLP-DZQBGBETSA-N,"InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27?,30-/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)[C@@H](O)[C@@H]1O,C30H26O13,pos_1_1sodium,594.137340892,DVGGLGXQSFURLP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla chinensis,493031.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla chinensis'],8,0,8.0 6283,1104,-1,,,,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1potassium,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 6284,1102,-1,,,,0.21692087,ISDB,BOUBBPHZUPRWIO-SFHVURJKSA-N,"InChI=1S/C18H26O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)4-2/h4,11-12,18-19H,2-3,5-10,13H2,1H3/t18-/m0/s1",C=C[C@H](O)C#CC#CCC=CCCCCCCCC,C18H26O,,258.198365452,BOUBBPHZUPRWIO,Fatty acids,Fatty Acids and Conjugates,,Panax stipuleanatus,160834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax stipuleanatus'],4,0,4.867683470249176 6285,1101,-1,,,,0.30115023,ISDB,ICFXJOAKQGDRCT-ZIHMWMKCSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,ICFXJOAKQGDRCT,Terpenoids,Steroids,Stigmastane steroids,Photinia lucida,346362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia lucida'],7,0,8.204600930213928 6286,1101,-1,,,,0.30115023,ISDB,ICFXJOAKQGDRCT-ZIHMWMKCSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,ICFXJOAKQGDRCT,Terpenoids,Steroids,Stigmastane steroids,Pourthiaea arguta,3903609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pourthiaea'],['Pourthiaea arguta'],7,0,8.204600930213928 6287,1099,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_2MNa,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 6288,1099,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_2MNa,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 6289,1099,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_2MNa,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 6290,1099,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_2MNa,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 6291,1098,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 6292,1096,318,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,UVBLDLGZDSGCSN-RUOWOPRNSA-N,"InChI=1S/C30H46O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-23,31H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,22+,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H46O3,pos_1_1proton,454.3446953319999,UVBLDLGZDSGCSN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 6293,1096,318,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,UVBLDLGZDSGCSN-RUOWOPRNSA-N,"InChI=1S/C30H46O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-23,31H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,22+,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H46O3,pos_1_1proton,454.3446953319999,UVBLDLGZDSGCSN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 6294,1094,-1,,,,0.66112477,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,10.644499063491821 6295,1094,-1,,,,0.66112477,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,10.644499063491821 6296,1094,-1,,,,0.66112477,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,10.644499063491821 6297,1094,-1,,,,0.66112477,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,10.644499063491821 6298,1094,-1,,,,0.66112477,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,10.644499063491821 6299,1094,-1,,,,0.66112477,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,10.644499063491821 6300,1094,-1,,,,0.66112477,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,10.644499063491821 6301,1094,-1,,,,0.66112477,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,10.644499063491821 6302,1092,-1,,,,0.4025431,ISDB,UXGFDGDPHNRIBO-OXJNMPFZSA-N,"InChI=1S/C20H26O2/c1-6-13-12(2)7-8-14-18(13)15(21)11-16-19(3,4)17(22)9-10-20(14,16)5/h7-8,16H,6,9-11H2,1-5H3/t16-,20+/m0/s1",CCc1c(C)ccc2c1C(=O)C[C@H]1C(C)(C)C(=O)CC[C@]21C,C20H26O2,,298.193280072,UXGFDGDPHNRIBO,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],4,0,5.610172390937805 6303,1091,80,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,CBFCDTFDPHXCNY-UHFFFAOYSA-N,"InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3",CCCCCCCCCCCCCCCCCCCC,C20H42,pos_1_minus1proton2sodium,282.328651344,CBFCDTFDPHXCNY,Fatty acids,Fatty acyls,Hydrocarbons,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],6,3,7.5 6304,1091,80,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,CBFCDTFDPHXCNY-UHFFFAOYSA-N,"InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3",CCCCCCCCCCCCCCCCCCCC,C20H42,pos_1_minus1proton2sodium,282.328651344,CBFCDTFDPHXCNY,Fatty acids,Fatty acyls,Hydrocarbons,Rosa centifolia,383285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa roxburghii'],6,3,7.5 6305,1091,80,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,CBFCDTFDPHXCNY-UHFFFAOYSA-N,"InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3",CCCCCCCCCCCCCCCCCCCC,C20H42,pos_1_minus1proton2sodium,282.328651344,CBFCDTFDPHXCNY,Fatty acids,Fatty acyls,Hydrocarbons,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 6306,1090,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-UHFFFAOYSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2",N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccccc1,C14H17NO6,pos_1_1proton1isopropanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Sorbus commixta,222837.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus commixta'],7,0,7.0 6307,1090,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1isopropanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Chaenomeles japonica,852470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles japonica'],7,0,7.0 6308,1090,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-UHFFFAOYSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2",N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccccc1,C14H17NO6,pos_1_1proton1isopropanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Vauquelinia,1023054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Vauquelinia'],['Unknown'],7,0,7.0 6309,1090,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1isopropanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Vauquelinia corymbosa,1085086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Vauquelinia'],['Vauquelinia corymbosa'],7,0,7.0 6310,1090,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1isopropanol,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Kageneckia angustifolia,782145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Kageneckia'],['Kageneckia angustifolia'],7,0,7.0 6311,1089,-1,,,,0.0,MS1_match,TZEMRDVCZWVBHT-UTTQFQDJSA-N,"InChI=1S/C24H24O12/c25-14-5-1-12(9-16(14)27)3-7-19(29)34-11-18-21(31)22(32)23(33)24(35-18)36-20(30)8-4-13-2-6-15(26)17(28)10-13/h1-10,18,21-28,31-33H,11H2/b7-3+,8-4+/t18-,21-,22+,23-,24+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H24O12,pos_1_1sodium,504.126776208,TZEMRDVCZWVBHT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 6312,1088,-1,,,,0.71255875,ISDB,CKPBBEOJHAPPBT-UHFFFAOYSA-N,"InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)29-20(18-23)19-28-30(25,26)27-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)",CCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN,C21H44NO7P,,453.2855393779999,CKPBBEOJHAPPBT,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Asparagus officinalis,748359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus officinalis'],4,0,6.8502349853515625 6313,1085,391,,,,0.0,MS1_match,NVTNXPADRDASMP-PEXIWSMMSA-N,"InChI=1S/C17H30O10/c1-2-3-4-5-6-24-17-15(23)13(21)12(20)10(27-17)8-26-16-14(22)11(19)9(18)7-25-16/h3-4,9-23H,2,5-8H2,1H3/b4-3-/t9-,10-,11+,12-,13+,14-,15-,16+,17-/m1/s1",CC/C=C\CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C17H30O10,pos_1_1sodium,394.18389716,NVTNXPADRDASMP,,,,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 6314,1081,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 6315,1081,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 6316,1081,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 6317,1081,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 6318,1081,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 6319,1081,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 6320,1079,5,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,AJGIQTUFQSRBDM-UHFFFAOYSA-N,"InChI=1S/C20H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18-21-19-17-20/h16-19H,2-15H2,1H3",CCCCCCCCCCCCCCCc1ccncc1,C20H35N,pos_1_minus1proton1calcium,289.27695012,AJGIQTUFQSRBDM,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6321,1078,-1,,,,0.0,MS1_match,UFWIBTONFRDIAS-UHFFFAOYSA-N,InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,c1ccc2ccccc2c1,C10H8,pos_1_1proton1isopropanol,128.062600256,UFWIBTONFRDIAS,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 6322,1077,332,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1sodium1acetonitrile,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 6323,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],6,3,7.5 6324,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,3,7.5 6325,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa agrestis,775482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa agrestis'],6,3,7.5 6326,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,7.5 6327,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa taiwanensis,5523655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa taiwanensis'],6,3,7.5 6328,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus irenaeus,539746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus irenaeus'],6,3,7.5 6329,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Spiraea formosana,258075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea formosana'],6,3,7.5 6330,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus bretschneideri,3902937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus x bretschneideri'],6,3,7.5 6331,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Crataegus flava,70190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus flava'],6,3,7.5 6332,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,3,7.5 6333,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa bella,137959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa bella'],6,3,7.5 6334,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Acaena splendens,984471.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Acaena'],['Acaena splendens'],6,3,7.5 6335,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 6336,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],6,3,7.5 6337,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,3,7.5 6338,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,3,7.5 6339,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prinsepia utilis,3903986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Prinsepia'],['Prinsepia utilis'],6,3,7.5 6340,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus coreanus,91575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus coreanus'],6,3,7.5 6341,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-IBPJKQSTSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25-,26-,27-,28-,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C,C35H60O6,pos_1_1potassium,576.4389896399998,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus pashia,181935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pashia'],6,3,7.5 6342,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 6343,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 6344,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,3,7.5 6345,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,3,7.5 6346,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,3,7.5 6347,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,3,7.5 6348,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 6349,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],6,3,7.5 6350,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],6,3,7.5 6351,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,3,7.5 6352,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,3,7.5 6353,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa bella,137959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa bella'],6,3,7.5 6354,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Acaena splendens,984471.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Acaena'],['Acaena splendens'],6,3,7.5 6355,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],6,3,7.5 6356,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 6357,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,3,7.5 6358,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,3,7.5 6359,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prinsepia utilis,3903986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Prinsepia'],['Prinsepia utilis'],6,3,7.5 6360,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus coreanus,91575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus coreanus'],6,3,7.5 6361,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-IBPJKQSTSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25-,26-,27-,28-,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C,C35H60O6,pos_1_1potassium,576.4389896399998,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus pashia,181935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pashia'],6,3,7.5 6362,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 6363,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa davidii,756347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa davidii'],6,3,7.5 6364,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 6365,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,3,7.5 6366,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,3,7.5 6367,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,3,7.5 6368,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],6,3,7.5 6369,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 6370,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],6,3,7.5 6371,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles japonica,852470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles japonica'],6,3,7.5 6372,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,3,7.5 6373,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-QYDWNGEASA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 6374,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-QYDWNGEASA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 6375,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],6,3,7.5 6376,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,3,7.5 6377,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 6378,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus bretschneideri,3902937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus x bretschneideri'],6,3,7.5 6379,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles japonica,852470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles japonica'],6,3,7.5 6380,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 6381,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,3,7.5 6382,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,3,7.5 6383,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,3,7.5 6384,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,3,7.5 6385,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],6,3,7.5 6386,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 6387,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],6,3,7.5 6388,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles japonica,852470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles japonica'],6,3,7.5 6389,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,3,7.5 6390,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-QYDWNGEASA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 6391,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-QYDWNGEASA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 6392,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],6,3,7.5 6393,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,3,7.5 6394,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa davidii,756347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa davidii'],6,3,7.5 6395,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],6,3,7.5 6396,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 6397,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,3,7.5 6398,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa agrestis,775482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa agrestis'],6,3,7.5 6399,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,7.5 6400,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa taiwanensis,5523655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa taiwanensis'],6,3,7.5 6401,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus irenaeus,539746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus irenaeus'],6,3,7.5 6402,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Spiraea formosana,258075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea formosana'],6,3,7.5 6403,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Crataegus flava,70190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus flava'],6,3,7.5 6404,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-IBPJKQSTSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25-,26-,27-,28-,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C,C35H60O6,pos_1_1potassium,576.4389896399998,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus pashia,181935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pashia'],6,3,7.5 6405,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 6406,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prinsepia utilis,3903986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Prinsepia'],['Prinsepia utilis'],6,3,7.5 6407,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,3,7.5 6408,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-QYDWNGEASA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 6409,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-QYDWNGEASA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 6410,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],6,3,7.5 6411,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,3,7.5 6412,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa davidii,756347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa davidii'],6,3,7.5 6413,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],6,3,7.5 6414,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 6415,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,3,7.5 6416,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus coreanus,91575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus coreanus'],6,3,7.5 6417,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,7.5 6418,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa agrestis,775482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa agrestis'],6,3,7.5 6419,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus irenaeus,539746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus irenaeus'],6,3,7.5 6420,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Spiraea formosana,258075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea formosana'],6,3,7.5 6421,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus bretschneideri,3902937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus x bretschneideri'],6,3,7.5 6422,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Crataegus flava,70190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus flava'],6,3,7.5 6423,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,3,7.5 6424,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa bella,137959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa bella'],6,3,7.5 6425,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Acaena splendens,984471.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Acaena'],['Acaena splendens'],6,3,7.5 6426,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],6,3,7.5 6427,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 6428,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,3,7.5 6429,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,3,7.5 6430,1073,844,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa taiwanensis,5523655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa taiwanensis'],6,3,7.5 6431,1072,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSMVZQYAVGTKIV-UHFFFAOYSA-N,"InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3",CCCCCCCCCC=O,C10H20O,pos_1_1proton1acetonitrile,156.15141526,KSMVZQYAVGTKIV,Fatty acids,Fatty acyls,Fatty aldehydes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 6432,1072,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WTEVQBCEXWBHNA-YFHOEESVSA-N,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-",CC(C)=CCC/C(C)=C\C=O,C10H16O,pos_1_1proton1ethylamine,152.120115132,WTEVQBCEXWBHNA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 6433,1072,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NOOLISFMXDJSKH-UHFFFAOYSA-N,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",CC1CCC(C(C)C)C(O)C1,C10H20O,pos_1_1proton1acetonitrile,156.15141526,NOOLISFMXDJSKH,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 6434,1071,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 6435,1071,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 6436,1071,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,0,6.0 6437,1071,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,0,6.0 6438,1071,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 6439,1071,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 6440,1071,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,0,6.0 6441,1071,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 6442,1071,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 6443,1071,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 6444,1071,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 6445,1071,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,0,6.0 6446,1071,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,0,6.0 6447,1071,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 6448,1071,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 6449,1071,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,0,6.0 6450,1071,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 6451,1071,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 6452,1071,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 6453,1071,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 6454,1071,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 6455,1071,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 6456,1071,-1,,,,0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1proton1acetonitrile,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 6457,1071,-1,,,,0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1proton1acetonitrile,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 6458,1070,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6459,1070,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6460,1070,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 6461,1070,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 6462,1070,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 6463,1070,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6464,1070,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 6465,1070,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 6466,1070,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 6467,1069,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.35765544,ISDB,KUODBSWFMJMVJV-AVFWISQGSA-N,"InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)29-27(39)26(24-20(36)8-15(32)9-23(24)40-29)25-21(37)11-18(34)16-10-22(38)28(41-30(16)25)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2/t22-,26-,27-,28+,29+/m0/s1",Oc1ccc([C@H]2Oc3cc(O)cc(O)c3[C@@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@@H](O)C4)[C@@H]2O)cc1,C30H26O11,,562.147511652,KUODBSWFMJMVJV,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],8,3,10.93062174320221 6468,1066,73,Terpenoids,Steroids,Cholestane steroids,0.44518006,ISDB,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,10.280720233917236 6469,1066,73,Terpenoids,Steroids,Cholestane steroids,0.44518006,ISDB,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,1,10.280720233917236 6470,1066,73,Terpenoids,Steroids,Cholestane steroids,0.44518006,ISDB,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,1,10.280720233917236 6471,1065,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GDVRUDXLQBVIKP-UHFFFAOYSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2",O=C(OC1OC(CO)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton1acetonitrile,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 6472,1065,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUUSOIOWAGMHTM-HSQZMIOISA-N,"InChI=1S/C13H16O10/c14-3-6-9(18)10(19)11(20)13(22-6)23-12(21)4-1-2-5(15)8(17)7(4)16/h1-2,6,9-11,13-20H,3H2/t6-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)c(O)c1O,C13H16O10,pos_1_1proton1acetonitrile,332.074346712,FUUSOIOWAGMHTM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,1,8.5 6473,1064,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PQQITYGQJLPDFC-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O8,pos_1_1proton1ammonium,316.1158176,PQQITYGQJLPDFC,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],6,1,6.5 6474,1063,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.38646385,ISDB,MWEPRWWNHJVNMU-KNWYRSANSA-N,"InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-23(28)25(6)17-22(27)16-24(25,4)5/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,25-/m0/s1",C/C(C=O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C,C25H34O3,,382.250794948,MWEPRWWNHJVNMU,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,1,6.045855402946472 6475,1060,833,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,CTCKPFXFWVNGLG-RTLCHFMVSA-N,"InChI=1S/C13H24O4/c1-9(14)5-6-13(17)11(2,3)7-10(15)8-12(13,4)16/h5-6,9-10,14-17H,7-8H2,1-4H3/b6-5+/t9-,10+,12-,13-/m0/s1",C[C@H](O)/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@]1(C)O,C13H24O4,pos_1_1proton1acetonitrile,244.167459248,CTCKPFXFWVNGLG,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 6476,1058,-1,,,,0.0,MS1_match,ADYXLPOPBKTEGQ-XCOQKUFESA-N,"InChI=1S/C36H52O4/c1-23(2)10-7-11-24(3)12-8-13-25(4)14-9-15-30-20-21-31-34-32(28-16-18-29(37)19-17-28)22-33(38)40-36(34)27(6)26(5)35(31)39-30/h16-19,23-25,30,32,37H,7-15,20-22H2,1-6H3/t24-,25-,30-,32-/m1/s1",Cc1c(C)c2c(c3c1O[C@H](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC3)[C@@H](c1ccc(O)cc1)CC(=O)O2,C36H52O4,pos_2MMg,548.386560144,ADYXLPOPBKTEGQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 6477,1055,235,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,0.0,MS1_match,XUPXMIAWKPTZLZ-UHFFFAOYSA-N,"InChI=1S/C7H14O/c1-4-6(2)5-7(3)8/h6H,4-5H2,1-3H3",CCC(C)CC(C)=O,C7H14O,pos_2MCH3CNNa,114.104465068,XUPXMIAWKPTZLZ,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 6478,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Sargentodoxa cuneata,639710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Lardizabalaceae'],['Unknown'],['Sargentodoxa'],['Sargentodoxa cuneata'],4,1,6.830777406692505 6479,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Isoplexis chalcantha,173921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Isoplexis'],['Isoplexis chalcantha'],4,1,6.830777406692505 6480,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Forsythia suspensa,249064.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Forsythieae'],['Forsythia'],['Forsythia suspensa'],4,1,6.830777406692505 6481,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Phlomis spinidens,6081327.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Phlomideae'],['Phlomis'],['Phlomis spinidens'],4,1,6.830777406692505 6482,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Epimedium diphyllum,749541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium diphyllum'],4,1,6.830777406692505 6483,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],4,1,6.830777406692505 6484,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Buddleja officinalis,129762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Buddlejeae'],['Buddleja'],['Buddleja officinalis'],4,1,6.830777406692505 6485,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Stachys byzantina,221882.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Stachys'],['Stachys byzantina'],4,1,6.830777406692505 6486,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,1,6.830777406692505 6487,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Penstemon acuminatus,34996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon acuminatus'],4,1,6.830777406692505 6488,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Cistanche phelypaea,675210.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Orobancheae'],['Cistanche'],['Cistanche phelypaea'],4,1,6.830777406692505 6489,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Cistanche tubulosa,368050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Orobancheae'],['Cistanche'],['Cistanche tubulosa'],4,1,6.830777406692505 6490,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Penstemon secundiflorus,673705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon secundiflorus'],4,1,6.830777406692505 6491,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Asystasia gangetica,540639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Justicieae'],['Asystasia'],['Asystasia gangetica'],4,1,6.830777406692505 6492,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Asystasia,1062445.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Justicieae'],['Asystasia'],['Unknown'],4,1,6.830777406692505 6493,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Epimedium grandiflorum,655264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium grandiflorum'],4,1,6.830777406692505 6494,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Campanula medium,112632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Campanula'],['Campanula medium'],4,1,6.830777406692505 6495,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix myrsinifolia,505755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix myrsinifolia'],4,1,6.830777406692505 6496,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix herbacea,895200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix herbacea'],4,1,6.830777406692505 6497,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Populus tremula,839584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Populus'],['Populus tremula'],4,1,6.830777406692505 6498,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],4,1,6.830777406692505 6499,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Millingtonia hortensis,1072482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Oroxyleae'],['Millingtonia'],['Millingtonia hortensis'],4,1,6.830777406692505 6500,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Digitalis chalcantha,173921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Isoplexis'],['Isoplexis chalcantha'],4,1,6.830777406692505 6501,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],4,1,6.830777406692505 6502,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Ligustrum lucidum,300838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Ligustrum'],['Ligustrum lucidum'],4,1,6.830777406692505 6503,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-PEBLQZBPSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13+,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Distylium racemosum,615343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Hamamelidaceae'],['Unknown'],['Distylium'],['Distylium racemosum'],4,1,6.830777406692505 6504,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fernandoa adenophylla,5921498.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Unknown'],['Fernandoa'],['Fernandoa adenophylla'],4,1,6.830777406692505 6505,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fernandoa,1031.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Unknown'],['Fernandoa'],['Unknown'],4,1,6.830777406692505 6506,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Campylanthus glaber,68974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Campylanthus'],['Campylanthus glaber'],4,1,6.830777406692505 6507,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fraxinus angustifolia,949520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus angustifolia'],4,1,6.830777406692505 6508,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Peucedanum japonicum,825756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Peucedanum'],['Peucedanum japonicum'],4,1,6.830777406692505 6509,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Phillyrea latifolia,558232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Phillyrea'],['Phillyrea latifolia'],4,1,6.830777406692505 6510,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Strychnos nux-vomica,125847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Loganiaceae'],['Unknown'],['Strychnos'],['Strychnos nux-vomica'],4,1,6.830777406692505 6511,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix lapponum,717152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix lapponum'],4,1,6.830777406692505 6512,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Olea europaea,23729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Olea'],['Olea europaea'],4,1,6.830777406692505 6513,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Scrophularia umbrosa,819696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia umbrosa'],4,1,6.830777406692505 6514,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Scrophularia oblongifolia,5232595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia alpestris'],4,1,6.830777406692505 6515,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Scrophularia alpestris,5232595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia alpestris'],4,1,6.830777406692505 6516,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Syringa reticulata,663556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Syringa'],['Syringa reticulata'],4,1,6.830777406692505 6517,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Inga feuillei,239873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Inga'],['Inga feuillei'],4,1,6.830777406692505 6518,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fraxinus excelsior,671802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus excelsior'],4,1,6.830777406692505 6519,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Volkameria inermis,907442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Volkameria'],['Volkameria inermis'],4,1,6.830777406692505 6520,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Clerodendrum,274806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Unknown'],4,1,6.830777406692505 6521,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Lamium galeobdolon,907333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Lamieae'],['Lamium'],['Lamium galeobdolon'],4,1,6.830777406692505 6522,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],4,1,6.830777406692505 6523,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Viburnum dilatatum,205155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum dilatatum'],4,1,6.830777406692505 6524,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix caprea,218600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix caprea'],4,1,6.830777406692505 6525,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix pentandra,738780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix pentandra'],4,1,6.830777406692505 6526,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Croton chilensis,958038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton chilensis'],4,1,6.830777406692505 6527,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Centaurea raphanina,262337.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea raphanina'],4,1,6.830777406692505 6528,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Centaurea urvillei,7613492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea urvillei'],4,1,6.830777406692505 6529,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Carica papaya,429474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Caricaceae'],['Unknown'],['Carica'],['Carica papaya'],4,1,6.830777406692505 6530,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fraxinus formosana,498392.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus formosana'],4,1,6.830777406692505 6531,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fraxinus griffithii,498394.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus griffithii'],4,1,6.830777406692505 6532,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola fastigiata,311052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola fastigiata'],4,1,6.830777406692505 6533,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Hypericum erectum,304180.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum erectum'],4,1,6.830777406692505 6534,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Aristolochia gehrtii,6028774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia gehrtii'],4,1,6.830777406692505 6535,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Aristolochia cucurbitifolia,708579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia cucurbitifolia'],4,1,6.830777406692505 6536,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola heterodonta,762829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola heterodonta'],4,1,6.830777406692505 6537,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Hydrangea chinensis,486966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea chinensis'],4,1,6.830777406692505 6538,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola sachalinensis,581648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola sachalinensis'],4,1,6.830777406692505 6539,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola rosea,914930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola rosea'],4,1,6.830777406692505 6540,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola subopposita,5729819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola subopposita'],4,1,6.830777406692505 6541,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola algida,526588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola algida'],4,1,6.830777406692505 6542,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola kirilowii,311039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola kirilowii'],4,1,6.830777406692505 6543,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola coccinea,5503321.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola coccinea'],4,1,6.830777406692505 6544,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola quadrifida,759840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola quadrifida'],4,1,6.830777406692505 6545,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola sacra,311049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola sacra'],4,1,6.830777406692505 6546,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-UHFFFAOYSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2",OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rhodiola crenulata,1024602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola crenulata'],4,1,6.830777406692505 6547,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Ipomoea nil,77355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea nil'],4,1,6.830777406692505 6548,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix daphnoides,717164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix daphnoides'],4,1,6.830777406692505 6549,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Fraxinus malacophylla,873157.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus malacophylla'],4,1,6.830777406692505 6550,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Scutellaria baicalensis,795166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria baicalensis'],4,1,6.830777406692505 6551,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix viminalis,458851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix viminalis'],4,1,6.830777406692505 6552,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix cinerea,717148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix cinerea'],4,1,6.830777406692505 6553,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix triandra,895184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix triandra'],4,1,6.830777406692505 6554,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix fragilis,895191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix fragilis'],4,1,6.830777406692505 6555,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix alba,164209.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix alba'],4,1,6.830777406692505 6556,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix babylonica,164204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix babylonica'],4,1,6.830777406692505 6557,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix phylicifolia,142970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix phylicifolia'],4,1,6.830777406692505 6558,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix purpurea,895197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix purpurea'],4,1,6.830777406692505 6559,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix arctica,775560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix arctica'],4,1,6.830777406692505 6560,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix eleagnos,696802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix elaeagnos'],4,1,6.830777406692505 6561,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix interior,738777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix interior'],4,1,6.830777406692505 6562,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Salix candida,72033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix candida'],4,1,6.830777406692505 6563,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Rehmannia glutinosa,164453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Unknown'],['Rehmannia'],['Rehmannia glutinosa'],4,1,6.830777406692505 6564,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Pedicularis plicata,5232492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Pedicularideae'],['Pedicularis'],['Pedicularis plicata'],4,1,6.830777406692505 6565,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Plantago coronopus,989049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago coronopus'],4,1,6.830777406692505 6566,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Plantago australis,989047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago australis'],4,1,6.830777406692505 6567,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Peperomia leptostachya,600420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Peperomia'],['Peperomia leptostachya'],4,1,6.830777406692505 6568,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Peperomia humilis,3869108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Peperomia'],['Peperomia humilis'],4,1,6.830777406692505 6569,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Cistanche salsa,368049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Orobancheae'],['Cistanche'],['Cistanche salsa'],4,1,6.830777406692505 6570,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Syringa vulgaris,733236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Syringa'],['Syringa vulgaris'],4,1,6.830777406692505 6571,1044,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.58269435,ISDB,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Polypremum procumbens,371364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Tetrachondraceae'],['Unknown'],['Polypremum'],['Polypremum procumbens'],4,1,6.830777406692505 6572,1042,313,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WDKYDMULARNCIS-GQCTYLIASA-N,"InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+",CCOC(=O)/C=C/c1ccc(O)c(O)c1,C11H12O4,pos_2MH,208.073558864,WDKYDMULARNCIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,1,8.5 6573,1040,351,Amino acids and Peptides,Small peptides,Fatty aldehydes,0.0,MS1_match,WSMYVTOQOOLQHP-UHFFFAOYSA-N,"InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2",O=CCC=O,C3H4O2,pos_2MHNH3,72.021129368,WSMYVTOQOOLQHP,Fatty acids,Fatty acyls,Fatty aldehydes,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 6574,1039,397,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6514825,ISDB,VQUPQWGKORWZII-WDPYGAQVSA-N,"InChI=1S/C21H22O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-25,27-28H,1H3/t8-,15-,17+,18+,19+,20-,21-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O,C21H22O10,,434.1212969039999,VQUPQWGKORWZII,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Artocarpus dadah,896408.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Artocarpus'],['Artocarpus dadah'],5,3,9.105930089950562 6575,1039,397,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6514825,ISDB,VQUPQWGKORWZII-WDPYGAQVSA-N,"InChI=1S/C21H22O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-25,27-28H,1H3/t8-,15-,17+,18+,19+,20-,21-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O,C21H22O10,,434.1212969039999,VQUPQWGKORWZII,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Artocarpus lacucha,702285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Artocarpus'],['Artocarpus lacucha'],5,3,9.105930089950562 6576,1039,397,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6514825,ISDB,VQUPQWGKORWZII-UZFIDVBXSA-N,"InChI=1S/C21H22O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-25,27-28H,1H3/t8-,15+,17+,18+,19+,20-,21+/m0/s1",C[C@@H]1O[C@H](O[C@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)[C@H](O)[C@H](O)[C@@H]1O,C21H22O10,,434.121296904,VQUPQWGKORWZII,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Artocarpus,83990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Artocarpus'],['Unknown'],5,3,9.105930089950562 6577,1037,160,Terpenoids,Steroids,Stigmastane steroids,0.46085846,ISDB,MOIWXUZVOAWCDV-UHFFFAOYSA-N,"InChI=1S/C29H48O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)32-31/h8-9,17-20,22-27,30-31H,7,10-16H2,1-6H3",CCC(C=CC(C)C1CCC2C3C(OO)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C,C29H48O3,,444.360345396,MOIWXUZVOAWCDV,Terpenoids,Steroids,Stigmastane steroids,Gynura japonica,5921027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Gynura'],['Gynura japonica'],4,3,7.343433856964111 6578,1035,-1,,,,0.0,MS1_match,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,pos_1_1proton1ammonium,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 6579,1035,-1,,,,0.0,MS1_match,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,pos_1_1proton1ammonium,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6580,1034,-1,,,,0.29320794,ISDB,,,,,,,JYGCFKIEXRCHGG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1728317737579346 6581,1033,400,Fatty acids,Fatty esters,Wax monoesters,0.35444123,ISDB,MOBABZAVADBVLY-CMWXKVOJSA-N,"InChI=1S/C11H20O3/c1-9(7-8-12)5-4-6-10(2)11(13)14-3/h6,9,12H,4-5,7-8H2,1-3H3/b10-6+/t9-/m0/s1",COC(=O)/C(C)=C/CC[C@H](C)CCO,C11H20O3,,200.1412445,MOBABZAVADBVLY,Fatty acids,Fatty esters,Wax monoesters,Hoffmannia strigillosa,3881053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Hamelieae'],['Hoffmannia'],['Hoffmannia strigillosa'],0,3,2.917764902114868 6582,1032,-1,,,,0.4933504,ISDB,,,,,,,CNUVMQOVGWQUDW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9734015464782715 6583,1031,237,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Estrane steroids,0.0,MS1_match,VOXZDWNPVJITMN-PNKHAZJDSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15+,16+,17-,18-/m0/s1",C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC[C@@H]2O,C18H24O2,pos_2_2proton,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 6584,1030,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,SZOHSTQGGUHULY-HIFRSBDPSA-N,"InChI=1S/C15H22O/c1-11(2)13-7-9-15(3)8-6-12(10-16)4-5-14(13)15/h5-6,10-11,13H,4,7-9H2,1-3H3/t13-,15+/m1/s1",CC(C)[C@H]1CC[C@]2(C)CC=C(C=O)CC=C12,C15H22O,pos_2MH,218.167065324,SZOHSTQGGUHULY,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,1,6.5 6585,1030,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,FJLQWQUZCQLZHA-RBSFLKMASA-N,"InChI=1S/C15H22O/c1-11(2)13-7-9-15(3)8-6-12(10-16)4-5-14(13)15/h6,10,13-14H,1,4-5,7-9H2,2-3H3/t13-,14-,15-/m1/s1",C=C(C)[C@H]1CC[C@@]2(C)CC=C(C=O)CC[C@H]12,C15H22O,pos_2MH,218.167065324,FJLQWQUZCQLZHA,Terpenoids,Sesquiterpenoids,Isodaucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,1,6.5 6586,1030,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,XDBOEVDBTVZZRP-UKRRQHHQSA-N,"InChI=1S/C15H22O/c1-10(2)13-9-14(16)12(4)15(13)7-5-11(3)6-8-15/h5,10,13H,4,6-9H2,1-3H3/t13-,15-/m1/s1",C=C1C(=O)C[C@H](C(C)C)[C@@]12CC=C(C)CC2,C15H22O,pos_2MH,218.167065324,XDBOEVDBTVZZRP,Terpenoids,Sesquiterpenoids,Acorane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,1,6.5 6587,1030,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,DUKANLAALCEHLW-OAHLLOKOSA-N,"InChI=1S/C15H22O/c1-11(2)13-7-9-15(3)8-6-12(10-16)4-5-14(13)15/h6,10-11H,4-5,7-9H2,1-3H3/t15-/m1/s1",CC(C)C1=C2CCC(C=O)=CC[C@]2(C)CC1,C15H22O,pos_2MH,218.167065324,DUKANLAALCEHLW,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,1,6.5 6588,1028,-1,,,,0.0,MS1_match,BJDUPNIPMKDXBF-GJNCRGBLSA-N,"InChI=1S/C21H30O11/c1-10(6-13(23)24)4-5-21(29)19(2)7-11(8-20(21,3)32-18(19)28)30-17-16(27)15(26)14(25)12(9-22)31-17/h4-6,11-12,14-17,22,25-27,29H,7-9H2,1-3H3,(H,23,24)/b5-4+,10-6-/t11-,12-,14-,15+,16-,17-,19-,20-,21-/m1/s1",CC(=C/C(=O)O)/C=C/[C@]1(O)[C@@]2(C)C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]1(C)C(=O)O2,C21H30O11,pos_1_1proton1ethylamine,458.17881178,BJDUPNIPMKDXBF,Terpenoids,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6589,1026,831,Terpenoids,Apocarotenoids,Megastigmanes,0.63683873,ISDB,VMGKCCIFXCUSHN-UHFFFAOYSA-N,"InChI=1S/C13H24O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h9,12,14-15H,5-8H2,1-4H3",CC1=C(CCC(C)O)C(C)(C)CCC1O,C13H24O2,,212.177630008,VMGKCCIFXCUSHN,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.047354936599731 6590,1025,160,Terpenoids,Steroids,Stigmastane steroids,0.5278824,ISDB,MOIWXUZVOAWCDV-UHFFFAOYSA-N,"InChI=1S/C29H48O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)32-31/h8-9,17-20,22-27,30-31H,7,10-16H2,1-6H3",CCC(C=CC(C)C1CCC2C3C(OO)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C,C29H48O3,,444.360345396,MOIWXUZVOAWCDV,Terpenoids,Steroids,Stigmastane steroids,Gynura japonica,5921027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Gynura'],['Gynura japonica'],4,3,7.611529588699341 6591,1021,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 6592,1021,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BNSCASRSSGJHQH-UHFFFAOYSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,BNSCASRSSGJHQH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,3,9.5 6593,1021,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BNSCASRSSGJHQH-UHFFFAOYSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,BNSCASRSSGJHQH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,3,9.5 6594,1021,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FDRQPMVGJOQVTL-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 6595,1021,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FDRQPMVGJOQVTL-BZARIISDSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 6596,1021,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FDRQPMVGJOQVTL-BZARIISDSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 6597,1021,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 6598,1021,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-LMGQGNMHSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14?,15-,17+,19?,20-,21+,22-,24-,26?,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](OC3OC(CO)[C@H](O)C(O)[C@@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 6599,1021,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RPVIQWDFJPYNJM-MPPJEPTCSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20-,21-,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,RPVIQWDFJPYNJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 6600,1021,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-LMGQGNMHSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14?,15-,17+,19?,20-,21+,22-,24-,26?,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](OC3OC(CO)[C@H](O)C(O)[C@@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 6601,1021,62,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RPVIQWDFJPYNJM-MPPJEPTCSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20-,21-,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,RPVIQWDFJPYNJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 6602,1019,75,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,3,7.5 6603,1019,75,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,3,7.5 6604,1019,75,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,3,7.5 6605,1019,75,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 6606,1019,75,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 6607,1017,142,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.42057428,ISDB,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,12.182297110557556 6608,1015,-1,,,,0.0,MS1_match,BBOCDRLDMQHWJP-WOUKDFQISA-N,"InChI=1S/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)/t6-,8-,9-,12-/m1/s1",OCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,C12H17N5O5,pos_1_1proton1ethylamine,311.122968644,BBOCDRLDMQHWJP,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 6609,1014,-1,,,,0.0,MS1_match,BGWWYZXBGAKMRB-UXXRCYHCSA-N,"InChI=1S/C15H20O6/c1-2-3-9-4-6-10(7-5-9)20-15-14(19)13(18)12(17)11(8-16)21-15/h2,4-7,11-19H,1,3,8H2/t11-,12-,13+,14-,15-/m1/s1",C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C15H20O6,pos_1_1sodium,296.12598835999995,BGWWYZXBGAKMRB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],6,0,6.0 6610,1014,-1,,,,0.0,MS1_match,BGWWYZXBGAKMRB-UXXRCYHCSA-N,"InChI=1S/C15H20O6/c1-2-3-9-4-6-10(7-5-9)20-15-14(19)13(18)12(17)11(8-16)21-15/h2,4-7,11-19H,1,3,8H2/t11-,12-,13+,14-,15-/m1/s1",C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C15H20O6,pos_1_1sodium,296.12598835999995,BGWWYZXBGAKMRB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],6,0,6.0 6611,1014,-1,,,,0.0,MS1_match,KHPCPRHQVVSZAH-GUNCLKARSA-N,"InChI=1S/C15H20O6/c16-9-11-12(17)13(18)14(19)15(21-11)20-8-4-7-10-5-2-1-3-6-10/h1-7,11-19H,8-9H2/b7-4+/t11-,12-,13+,14-,15-/m1/s1",OC[C@H]1O[C@@H](OC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C15H20O6,pos_1_1sodium,296.12598835999995,KHPCPRHQVVSZAH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],6,0,6.0 6612,1014,-1,,,,0.0,MS1_match,KHPCPRHQVVSZAH-GUNCLKARSA-N,"InChI=1S/C15H20O6/c16-9-11-12(17)13(18)14(19)15(21-11)20-8-4-7-10-5-2-1-3-6-10/h1-7,11-19H,8-9H2/b7-4+/t11-,12-,13+,14-,15-/m1/s1",OC[C@H]1O[C@@H](OC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C15H20O6,pos_1_1sodium,296.12598835999995,KHPCPRHQVVSZAH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],6,0,6.0 6613,1014,-1,,,,0.0,MS1_match,KHSCFCBRFOZSQO-VWOGUOOQSA-N,"InChI=1S/C15H20O6/c1-9(6-11(17)18)4-5-15(20)13(2)7-10(16)8-14(15,3)21-12(13)19/h4-6,10,16,20H,7-8H2,1-3H3,(H,17,18)/b5-4+,9-6-/t10-,13-,14-,15-/m1/s1",CC(=C/C(=O)O)/C=C/[C@]1(O)[C@@]2(C)C[C@H](O)C[C@]1(C)C(=O)O2,C15H20O6,pos_1_1sodium,296.12598836,KHSCFCBRFOZSQO,Terpenoids,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 6614,1014,-1,,,,0.0,MS1_match,QWZLQURLJIKCMW-ZCMVVSCJSA-N,"InChI=1S/C15H20O6/c1-9-4-5-15(20)13(2,12(18)19)7-10(16)8-14(15,3)21-11(17)6-9/h4-6,10,16,20H,7-8H2,1-3H3,(H,18,19)/b5-4-,9-6-/t10-,13+,14+,15-/m1/s1",CC1=C/C(=O)O[C@@]2(C)C[C@H](O)C[C@@](C)(C(=O)O)[C@]2(O)/C=C\1,C15H20O6,pos_1_1sodium,296.12598836,QWZLQURLJIKCMW,Terpenoids,,,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,0,6.0 6615,1014,-1,,,,0.0,MS1_match,QWZLQURLJIKCMW-UHFFFAOYSA-N,"InChI=1S/C15H20O6/c1-9-4-5-15(20)13(2,12(18)19)7-10(16)8-14(15,3)21-11(17)6-9/h4-6,10,16,20H,7-8H2,1-3H3,(H,18,19)",CC1=CC(=O)OC2(C)CC(O)CC(C)(C(=O)O)C2(O)C=C1,C15H20O6,pos_1_1sodium,296.12598836,QWZLQURLJIKCMW,Terpenoids,,,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,0,6.0 6616,1014,-1,,,,0.0,MS1_match,OHFYMBAVFZNQTM-ULZPOIKGSA-N,"InChI=1S/C15H20O6/c1-5(2)6-7-12(16)20-8(6)9-13(3)14(17,4-19-9)10-11(21-10)15(7,13)18/h5-11,17-18H,4H2,1-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1",CC(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(O)CO[C@H]2[C@]13C,C15H20O6,pos_1_1sodium,296.12598835999995,OHFYMBAVFZNQTM,Terpenoids,Sesquiterpenoids,Picrotoxane sesquiterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 6617,1013,471,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6618,1013,471,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 6619,1013,471,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 6620,1013,471,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6621,1013,471,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 6622,1013,471,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 6623,1012,109,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5976439,ISDB,BYDQKMZEOZVIJM-ZGCJARKRSA-N,"InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5-,12-9-",C/C=C\C=C1\C(C)=CCCC1(C)C,C13H20,,176.15650064,BYDQKMZEOZVIJM,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],4,3,7.890575647354126 6624,1009,262,Polyketides,Linear polyketides,Acetogenins,0.3168676,ISDB,KRQUGYHEWIVMJV-RZPXKCGYSA-N,"InChI=1S/C37H64O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-14-16-19-22-25-32-30-31(2)39-37(32)38/h17,20,30-31,33-36H,3-16,18-19,21-29H2,1-2H3/b20-17-/t31-,33-,34-,35-,36-/m1/s1",CCCCCCCCCCCC/C=C\CC[C@H]1O[C@@H]1CC[C@H]1O[C@@H]1CCCCCCCCCCC1=C[C@@H](C)OC1=O,C37H64O4,,572.480460528,KRQUGYHEWIVMJV,Polyketides,Linear polyketides,Acetogenins,Annona muricata,303957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona muricata'],4,3,6.767470359802246 6625,1006,-1,,,,0.56695807,ISDB,DBHKHNGBVGWQJE-USWSLJGRSA-N,"InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H44NO7P,,477.285539378,DBHKHNGBVGWQJE,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,0,6.267832279205322 6626,1005,937,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton1methanol,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 6627,1005,937,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton1methanol,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 6628,1005,937,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton1methanol,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 6629,1003,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.50861907,ISDB,WTEVQBCEXWBHNA-YFHOEESVSA-N,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-",CC(C)=CCC/C(C)=C\C=O,C10H16O,,152.120115132,WTEVQBCEXWBHNA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,12.034476280212402 6630,1002,-1,,,,0.0,MS1_match,UBZBPKARIHPOEC-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-13-7-9(5-6-10(13)20)12-8-11(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3",COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)ccc1O,C19H18O8,pos_1_1potassium,374.100167536,UBZBPKARIHPOEC,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Sorbus pallescens,3903574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus pallescens'],7,0,7.0 6631,1001,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.35007897,ISDB,OZOLQBVPEIWKPL-ARJAWSKDSA-N,"InChI=1S/C22H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h1,3-4,23H,5-8,11-14,17-19,22H2/b4-3-",C#C/C=C\CCCCC#CCCCCC#CCCCC#CCO,C22H28O,,308.214015516,OZOLQBVPEIWKPL,Fatty acids,Fatty acyls,Fatty alcohols,Callyspongia,1031750.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Unknown'],1,0,2.4003158807754517 6632,995,362,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,ZBHBGEFUKBOWPQ-UHFFFAOYSA-N,"InChI=1S/C29H48O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-29(31)23-21-26-20-22-27(30)28(25-26)32-2/h20-23,25,30H,3-19,24H2,1-2H3",CCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(OC)c1,C29H48O4,pos_1_1sodium1acetonitrile,460.355260016,ZBHBGEFUKBOWPQ,,,,Spiraea formosana,258075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea formosana'],6,0,6.0 6633,994,-1,,,,0.0,MS1_match,MGUZEJUQIKUKHQ-NPUIBITLSA-N,"InChI=1S/C28H40O12/c1-14-23(30)26(33)27(34)28(40-14)39-13-18(7-16-10-21(37-4)25(32)22(11-16)38-5)17(12-29)6-15-8-19(35-2)24(31)20(9-15)36-3/h8-11,14,17-18,23,26-34H,6-7,12-13H2,1-5H3/t14-,17+,18+,23-,26+,27+,28+/m0/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C28H40O12,pos_1_1potassium,568.2519767199999,MGUZEJUQIKUKHQ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6634,994,-1,,,,0.0,MS1_match,MGUZEJUQIKUKHQ-NPUIBITLSA-N,"InChI=1S/C28H40O12/c1-14-23(30)26(33)27(34)28(40-14)39-13-18(7-16-10-21(37-4)25(32)22(11-16)38-5)17(12-29)6-15-8-19(35-2)24(31)20(9-15)36-3/h8-11,14,17-18,23,26-34H,6-7,12-13H2,1-5H3/t14-,17+,18+,23-,26+,27+,28+/m0/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C28H40O12,pos_1_1potassium,568.2519767199999,MGUZEJUQIKUKHQ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6635,990,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_1_1proton1methanol,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 6636,990,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton1methanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 6637,990,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton1methanol,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 6638,989,114,Polyketides,Cyclic polyketides,2-pyrone derivatives,0.51709956,ISDB,KFTJQBMBWGAXNI-HCLFTBTMSA-N,"InChI=1S/C27H34O2/c1-24(2)21-11-13-27-12-10-20(26(4,29)17-27)15-22(27)25(21,3)16-19(23(24)28)14-18-8-6-5-7-9-18/h5-10,12,14,20-22,29H,11,13,15-17H2,1-4H3/b19-14+/t20-,21+,22-,25+,26-,27+/m0/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H34O2,,390.255880328,KFTJQBMBWGAXNI,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,0,6.0683982372283936 6639,983,-1,,,,0.0,MS1_match,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,pos_2MK,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 6640,983,-1,,,,0.0,MS1_match,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,pos_2MK,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6641,983,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6642,983,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6643,982,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.5931078,ISDB,CTLVRIOTFRWXKP-BGTYHANMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h6-7,14,16H,1,8-12H2,2-5H3/t14-,16-,17+,18+/m1/s1",C=C1C=CC[C@H]2[C@@](C)(CCC(C)=O)[C@H](C)CC[C@@]12C,C18H28O,,260.214015516,CTLVRIOTFRWXKP,Terpenoids,Sesquiterpenoids,,Parentucellia latifolia,981066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Rhinantheae'],['Parentucellia'],['Parentucellia latifolia'],4,2,7.37243127822876 6644,981,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 6645,981,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 6646,981,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 6647,981,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 6648,981,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RUVINXPYWBROJD-ONEGZZNKSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+",C/C=C/c1ccc(OC)cc1,C10H12O,pos_1_1proton1methanol,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,3,9.5 6649,981,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 6650,981,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 6651,979,-1,,,,0.0,MS1_match,YVBAUDVGOFCUSG-UHFFFAOYSA-N,"InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3",CCCCCc1ccco1,C9H14O,pos_2MHNH3,138.104465068,YVBAUDVGOFCUSG,Polyketides,Cyclic polyketides,Furans,Pyrus pyrifolia,443418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyrifolia'],7,0,7.0 6652,979,-1,,,,0.0,MS1_match,JIWBIWFOSCKQMA-LTKCOYKYSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-",CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H28O2,pos_1_1proton1ammonium,276.208930136,JIWBIWFOSCKQMA,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,0,7.0 6653,978,-1,,,,0.2209125,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Magallana gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,0,1.883650004863739 6654,978,-1,,,,0.2209125,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Crassostrea gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,0,1.883650004863739 6655,978,-1,,,,0.2209125,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula japonica,920654.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula japonica'],1,0,1.883650004863739 6656,978,-1,,,,0.2209125,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula sandai,920655.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula sandai'],1,0,1.883650004863739 6657,974,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 6658,973,-1,,,,0.55932766,ISDB,MIZMWVRZUWPMBI-UHFFFAOYSA-N,"InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h14-19H,2-13H2,1H3,(H2,21,22)",CCCCCCCCCCCCCC=CC=CC=CC(N)=O,C20H35NO,,305.27186474,MIZMWVRZUWPMBI,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,0,6.2373106479644775 6659,968,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.59866524,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,1,6.894660949707031 6660,966,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1sodium,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6661,966,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1sodium,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6662,965,670,Shikimates and Phenylpropanoids,,,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1proton1ethylamine,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,1,6.5 6663,965,670,Shikimates and Phenylpropanoids,,,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1proton1ethylamine,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,1,6.5 6664,963,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.72475517,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,1,11.399020671844482 6665,963,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.72475517,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,1,11.399020671844482 6666,963,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.72475517,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,1,11.399020671844482 6667,963,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.72475517,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla argentea,355267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla argentea'],8,1,11.399020671844482 6668,962,-1,,,,0.0,MS1_match,RYCOWSWEXICAJH-XOEGDGRGSA-N,"InChI=1S/C30H46O3/c1-19(2)16-20(31)17-30(18-33-30)22-10-14-28(6)21(22)8-9-24-27(5)13-12-25(32)26(3,4)23(27)11-15-29(24,28)7/h16,21-24H,8-15,17-18H2,1-7H3/t21-,22+,23-,24-,27+,28-,29-,30+/m1/s1",CC(C)=CC(=O)C[C@@]1([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]23C)CO1,C30H46O3,pos_1_minus1proton1iron,454.344695332,RYCOWSWEXICAJH,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Kageneckia angustifolia,782145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Kageneckia'],['Kageneckia angustifolia'],7,0,7.0 6669,962,-1,,,,0.0,MS1_match,PQMCNCMQEOZNTO-UIPXNEFQSA-N,"InChI=1S/C30H46O3/c1-19(2)9-8-15-29(7)23-13-17-28(6)21-10-11-22-26(3,4)24(31)14-16-27(22,5)20(21)12-18-30(23,28)25(32)33-29/h10,20,22-24,31H,1,8-9,11-18H2,2-7H3/t20-,22+,23-,24+,27-,28+,29+,30-/m1/s1",C=C(C)CCC[C@]1(C)OC(=O)[C@]23CC[C@@H]4C(=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@@H]31,C30H46O3,pos_1_minus1proton1iron,454.344695332,PQMCNCMQEOZNTO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 6670,962,-1,,,,0.0,MS1_match,UVBLDLGZDSGCSN-RUOWOPRNSA-N,"InChI=1S/C30H46O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-23,31H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,22+,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H46O3,pos_1_minus1proton1iron,454.3446953319999,UVBLDLGZDSGCSN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 6671,962,-1,,,,0.0,MS1_match,UVBLDLGZDSGCSN-RUOWOPRNSA-N,"InChI=1S/C30H46O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-23,31H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,22+,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H46O3,pos_1_minus1proton1iron,454.3446953319999,UVBLDLGZDSGCSN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 6672,961,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.8038978,ISDB,ZCCLDKGWJIREQF-PDBXOOCHSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,C21H36O4,,352.261359632,ZCCLDKGWJIREQF,Fatty acids,Glycerolipids,Monoacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,2,8.215591192245483 6673,960,-1,,,,0.24459362,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Mytilus unguiculatus,362065.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Mytilida'],['Mytilidae'],['Unknown'],['Mytilus'],['Mytilus unguiculatus'],1,0,1.9783744812011719 6674,960,-1,,,,0.24459362,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Mytilus coruscus,362065.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Mytilida'],['Mytilidae'],['Unknown'],['Mytilus'],['Mytilus unguiculatus'],1,0,1.9783744812011719 6675,960,-1,,,,0.24459362,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Crassostrea gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,0,1.9783744812011719 6676,960,-1,,,,0.24459362,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Magallana gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,0,1.9783744812011719 6677,960,-1,,,,0.24459362,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Halocynthia roretzi,672826.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Stolidobranchia'],['Pyuridae'],['Unknown'],['Halocynthia'],['Halocynthia roretzi'],1,0,1.9783744812011719 6678,960,-1,,,,0.24459362,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Styela plicata,750985.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Stolidobranchia'],['Styelidae'],['Unknown'],['Styela'],['Styela plicata'],1,0,1.9783744812011719 6679,960,-1,,,,0.24459362,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Botryllus schlosseri,487091.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Stolidobranchia'],['Styelidae'],['Unknown'],['Botryllus'],['Botryllus schlosseri'],1,0,1.9783744812011719 6680,960,-1,,,,0.24459362,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Ciona intestinalis,744224.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Cionidae'],['Unknown'],['Ciona'],['Ciona intestinalis'],1,0,1.9783744812011719 6681,960,-1,,,,0.24459362,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Styela clava,750983.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Stolidobranchia'],['Styelidae'],['Unknown'],['Styela'],['Styela clava'],1,0,1.9783744812011719 6682,960,-1,,,,0.24459362,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Aplidium pliciferum,861221.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Polyclinidae'],['Unknown'],['Aplidium'],['Aplidium pliciferum'],1,0,1.9783744812011719 6683,960,-1,,,,0.24459362,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Mytilus edulis,499751.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Mytilida'],['Mytilidae'],['Unknown'],['Mytilus'],['Mytilus edulis'],1,0,1.9783744812011719 6684,960,-1,,,,0.24459362,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Asterias amurensis,721266.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Asteroidea'],['Forcipulatida'],['Asteriidae'],['Unknown'],['Asterias'],['Asterias amurensis'],1,0,1.9783744812011719 6685,960,-1,,,,0.24459362,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Patiria pectinifera,977093.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Asteroidea'],['Valvatida'],['Asterinidae'],['Unknown'],['Patiria'],['Patiria pectinifera'],1,0,1.9783744812011719 6686,960,-1,,,,0.24459362,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Fusinus perplexus,2898055.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Neogastropoda'],['Fasciolariidae'],['Unknown'],['Fusinus'],['Fusinus perplexus'],1,0,1.9783744812011719 6687,960,-1,,,,0.24459362,ISDB,WSLGBPCJDUQFND-ALQDXPNJSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13?,19-14+,28-15?,29-16+,30-18?,31-20+,36-24-",CC(C#CC1=C(C)CC(O)CC1(C)C)=CC=CC(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)C1(C)CC(O)CC1(C)C,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Mytilus californianus,1025558.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Mytilida'],['Mytilidae'],['Unknown'],['Mytilus'],['Mytilus californianus'],1,0,1.9783744812011719 6688,959,71,Fatty acids,Sphingolipids,Other Octadecanoids,0.0,MS1_match,RXBFKZNLXJKTLQ-UHFFFAOYSA-N,"InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)",CCCCCCCCC(O)C=CCCCCCCC(=O)O,C18H34O3,pos_1_1proton1ammonium,298.250794948,RXBFKZNLXJKTLQ,Fatty acids,Octadecanoids,Other Octadecanoids,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,3,8.5 6689,957,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.3070296,ISDB,RLGBUTVIBWFTRW-IIEYBPOLSA-N,"InChI=1S/C27H36O3/c1-24(2)20-11-13-27-12-10-18(26(4,30)16-27)14-21(27)25(20,3)15-19(23(24)29)22(28)17-8-6-5-7-9-17/h5-10,12,18-22,28,30H,11,13-16H2,1-4H3/t18-,19+,20+,21-,22+,25+,26-,27+/m0/s1",CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H36O3,,408.266445012,RLGBUTVIBWFTRW,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,1,5.728118419647217 6690,956,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.44587824,ISDB,PYGRZYXAMLFMOS-IBMFSSKUSA-N,"InChI=1S/C30H42O2/c1-17(2)18-7-8-20(27(18)31)19-13-15-29(5)21(19)9-10-23-26-22(14-16-30(23,29)6)28(3,4)25-12-11-24(26)32-25/h8,19,21,23-25H,7,9-16H2,1-6H3/t19-,21-,23-,24-,25+,29-,30-/m1/s1",CC(C)=C1CC=C([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2C4=C(CC[C@]23C)C(C)(C)[C@@H]2CC[C@H]4O2)C1=O,C30H42O2,,434.31848058399993,PYGRZYXAMLFMOS,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Gynostemma pentaphyllum,493377.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Gomphogyneae'],['Gynostemma'],['Gynostemma pentaphyllum'],4,2,6.7835129499435425 6691,955,-1,,,,0.0,MS1_match,QWCOEYNCDIXGMI-FWANMBCFSA-N,"InChI=1S/C24H42O11/c1-13-6-5-8-22(3,4)24(13,31)9-7-14(2)34-20-18(28)17(27)16(26)15(35-20)10-32-21-19(29)23(30,11-25)12-33-21/h6,14-21,25-31H,5,7-12H2,1-4H3/t14-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CCCC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H42O11,pos_1_1proton1ethylamine,506.272712164,QWCOEYNCDIXGMI,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 6692,955,-1,,,,0.0,MS1_match,QWCOEYNCDIXGMI-FWANMBCFSA-N,"InChI=1S/C24H42O11/c1-13-6-5-8-22(3,4)24(13,31)9-7-14(2)34-20-18(28)17(27)16(26)15(35-20)10-32-21-19(29)23(30,11-25)12-33-21/h6,14-21,25-31H,5,7-12H2,1-4H3/t14-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CCCC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H42O11,pos_1_1proton1ethylamine,506.272712164,QWCOEYNCDIXGMI,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6693,953,390,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,pos_1_1proton,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 6694,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Spiraea formosana,258075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea formosana'],6,0,6.0 6695,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 6696,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 6697,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa agrestis,775482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa agrestis'],6,0,6.0 6698,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 6699,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa taiwanensis,5523655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa taiwanensis'],6,0,6.0 6700,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus irenaeus,539746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus irenaeus'],6,0,6.0 6701,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Spiraea formosana,258075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea formosana'],6,0,6.0 6702,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus bretschneideri,3902937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus x bretschneideri'],6,0,6.0 6703,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Crataegus flava,70190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus flava'],6,0,6.0 6704,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,0,6.0 6705,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa bella,137959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa bella'],6,0,6.0 6706,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Acaena splendens,984471.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Acaena'],['Acaena splendens'],6,0,6.0 6707,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],6,0,6.0 6708,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 6709,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,0,6.0 6710,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,0,6.0 6711,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prinsepia utilis,3903986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Prinsepia'],['Prinsepia utilis'],6,0,6.0 6712,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus coreanus,91575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus coreanus'],6,0,6.0 6713,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-IBPJKQSTSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25-,26-,27-,28-,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C,C35H60O6,pos_1_1potassium,576.4389896399998,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus pashia,181935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pashia'],6,0,6.0 6714,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 6715,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 6716,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 6717,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,0,6.0 6718,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],6,0,6.0 6719,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 6720,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa davidii,756347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa davidii'],6,0,6.0 6721,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],6,0,6.0 6722,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,0,6.0 6723,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa bella,137959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa bella'],6,0,6.0 6724,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Acaena splendens,984471.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Acaena'],['Acaena splendens'],6,0,6.0 6725,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],6,0,6.0 6726,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 6727,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,0,6.0 6728,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,0,6.0 6729,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prinsepia utilis,3903986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Prinsepia'],['Prinsepia utilis'],6,0,6.0 6730,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus coreanus,91575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus coreanus'],6,0,6.0 6731,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-IBPJKQSTSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25-,26-,27-,28-,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C,C35H60O6,pos_1_1potassium,576.4389896399998,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus pashia,181935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pashia'],6,0,6.0 6732,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 6733,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 6734,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 6735,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,0,6.0 6736,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 6737,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 6738,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],6,0,6.0 6739,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 6740,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],6,0,6.0 6741,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles japonica,852470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles japonica'],6,0,6.0 6742,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,0,6.0 6743,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-QYDWNGEASA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 6744,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-QYDWNGEASA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 6745,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 6746,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 6747,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],6,0,6.0 6748,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 6749,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 6750,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 6751,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 6752,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,0,6.0 6753,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 6754,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 6755,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],6,0,6.0 6756,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 6757,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],6,0,6.0 6758,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles japonica,852470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles japonica'],6,0,6.0 6759,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,0,6.0 6760,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-QYDWNGEASA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 6761,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-QYDWNGEASA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 6762,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],6,0,6.0 6763,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 6764,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa davidii,756347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa davidii'],6,0,6.0 6765,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],6,0,6.0 6766,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 6767,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 6768,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa agrestis,775482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa agrestis'],6,0,6.0 6769,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 6770,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa taiwanensis,5523655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa taiwanensis'],6,0,6.0 6771,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus irenaeus,539746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus irenaeus'],6,0,6.0 6772,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-IBPJKQSTSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25-,26-,27-,28-,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C,C35H60O6,pos_1_1potassium,576.4389896399998,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus pashia,181935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pashia'],6,0,6.0 6773,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus coreanus,91575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus coreanus'],6,0,6.0 6774,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prinsepia utilis,3903986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Prinsepia'],['Prinsepia utilis'],6,0,6.0 6775,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,0,6.0 6776,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],6,0,6.0 6777,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Chaenomeles japonica,852470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles japonica'],6,0,6.0 6778,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,0,6.0 6779,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-QYDWNGEASA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 6780,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-QYDWNGEASA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 6781,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],6,0,6.0 6782,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 6783,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa davidii,756347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa davidii'],6,0,6.0 6784,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],6,0,6.0 6785,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 6786,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 6787,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Crataegus flava,70190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus flava'],6,0,6.0 6788,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa agrestis,775482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa agrestis'],6,0,6.0 6789,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa taiwanensis,5523655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa taiwanensis'],6,0,6.0 6790,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rubus irenaeus,539746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus irenaeus'],6,0,6.0 6791,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Spiraea formosana,258075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea formosana'],6,0,6.0 6792,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus bretschneideri,3902937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus x bretschneideri'],6,0,6.0 6793,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Crataegus flava,70190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus flava'],6,0,6.0 6794,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,0,6.0 6795,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Rosa bella,137959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa bella'],6,0,6.0 6796,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Acaena splendens,984471.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Acaena'],['Acaena splendens'],6,0,6.0 6797,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],6,0,6.0 6798,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 6799,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,0,6.0 6800,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 6801,952,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Pyrus bretschneideri,3902937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus x bretschneideri'],6,0,6.0 6802,950,73,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,AUPMFUOQLMOLGB-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h17-18,20-23,28H,2-16,19,24H2,1H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H44O3,pos_1_1proton,416.329045268,AUPMFUOQLMOLGB,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 6803,950,73,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,AUPMFUOQLMOLGB-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h17-18,20-23,28H,2-16,19,24H2,1H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)cc1,C27H44O3,pos_1_1proton,416.329045268,AUPMFUOQLMOLGB,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6804,947,-1,,,,0.0,MS1_match,GOZCEKPKECLKNO-UHFFFAOYSA-N,"InChI=1S/C14H18O7/c1-7(16)8-2-4-9(5-3-8)20-14-13(19)12(18)11(17)10(6-15)21-14/h2-5,10-15,17-19H,6H2,1H3",CC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,C14H18O7,pos_1_1proton1isopropanol,298.105252916,GOZCEKPKECLKNO,,,,Vauquelinia,1023054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Vauquelinia'],['Unknown'],7,0,7.0 6805,947,-1,,,,0.0,MS1_match,GOZCEKPKECLKNO-RKQHYHRCSA-N,"InChI=1S/C14H18O7/c1-7(16)8-2-4-9(5-3-8)20-14-13(19)12(18)11(17)10(6-15)21-14/h2-5,10-15,17-19H,6H2,1H3/t10-,11-,12+,13-,14-/m1/s1",CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C14H18O7,pos_1_1proton1isopropanol,298.105252916,GOZCEKPKECLKNO,,,,Vauquelinia corymbosa,1085086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Vauquelinia'],['Vauquelinia corymbosa'],7,0,7.0 6806,947,-1,,,,0.0,MS1_match,WTTHPSZUSQNYFG-UWVGGRQHSA-N,"InChI=1S/C14H18O7/c1-6-4-8(7(2)15)13(18)11(12(6)17)9(16)5-10(21-3)14(19)20/h4,9-10,16-18H,5H2,1-3H3,(H,19,20)/t9-,10-/m0/s1",CO[C@@H](C[C@H](O)c1c(O)c(C)cc(C(C)=O)c1O)C(=O)O,C14H18O7,pos_1_1proton1isopropanol,298.105252916,WTTHPSZUSQNYFG,Polyketides,,,Sorbus globosa,3903414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus globosa'],7,0,7.0 6807,946,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,BAEXUXXJQFAXLI-LSLMRWIDSA-N,"InChI=1S/C15H26O3/c1-6-14(4,17)9-7-10-15(5)11-8-12(18-15)13(2,3)16/h6-7,10,12,16-17H,1,8-9,11H2,2-5H3/b10-7-/t12-,14+,15-/m0/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O)O1,C15H26O3,pos_1_1proton1ammonium,254.188194692,BAEXUXXJQFAXLI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,1,7.5 6808,945,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5384857,ISDB,BJFKUIUNGGPCAB-SGSCGOSXSA-N,"InChI=1S/C19H32O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h12,14-18,20,22-24H,5-9H2,1-4H3/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)CCC1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H32O7,,372.2148033639999,BJFKUIUNGGPCAB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Epimedium grandiflorum,655264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium grandiflorum'],4,3,7.653942823410034 6809,945,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5384857,ISDB,BJFKUIUNGGPCAB-SGSCGOSXSA-N,"InChI=1S/C19H32O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h12,14-18,20,22-24H,5-9H2,1-4H3/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)CCC1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H32O7,,372.2148033639999,BJFKUIUNGGPCAB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Campanula medium,112632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Campanula'],['Campanula medium'],4,3,7.653942823410034 6810,945,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5384857,ISDB,BJFKUIUNGGPCAB-SGSCGOSXSA-N,"InChI=1S/C19H32O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h12,14-18,20,22-24H,5-9H2,1-4H3/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)CCC1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H32O7,,372.2148033639999,BJFKUIUNGGPCAB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Panax notoginseng,831322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax notoginseng'],4,3,7.653942823410034 6811,945,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5384857,ISDB,BJFKUIUNGGPCAB-VKSRGFPUSA-N,"InChI=1S/C19H32O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h12,14-18,20,22-24H,5-9H2,1-4H3/t12-,14-,15-,16+,17-,18+/m1/s1",CC(=O)CCC1=C(C)C[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H32O7,,372.2148033639999,BJFKUIUNGGPCAB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Epimedium sagittatum,175143.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium sagittatum'],4,3,7.653942823410034 6812,943,2,Fatty acids,Fatty amides,Fatty aldehydes,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1proton1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,1,8.5 6813,943,2,Fatty acids,Fatty amides,Fatty aldehydes,0.0,MS1_match,DTOSIQBPPRVQHS-UHFFFAOYSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)",CCC=CCC=CCC=CCCCCCCCC(=O)O,C18H30O2,pos_1_1proton1ammonium,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,1,8.5 6814,943,2,Fatty acids,Fatty amides,Fatty aldehydes,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_1proton1ammonium,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,1,8.5 6815,943,2,Fatty acids,Fatty amides,Fatty aldehydes,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1proton1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,1,8.5 6816,942,-1,,,,0.66140634,ISDB,MIZMWVRZUWPMBI-UHFFFAOYSA-N,"InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h14-19H,2-13H2,1H3,(H2,21,22)",CCCCCCCCCCCCCC=CC=CC=CC(N)=O,C20H35NO,,305.27186474,MIZMWVRZUWPMBI,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,0,6.645625352859497 6817,941,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.7906567,ISDB,ZCCLDKGWJIREQF-PDBXOOCHSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,C21H36O4,,352.261359632,ZCCLDKGWJIREQF,Fatty acids,Glycerolipids,Monoacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,2,8.16262674331665 6818,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 6819,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,3,7.5 6820,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 6821,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 6822,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,3,7.5 6823,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 6824,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 6825,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 6826,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 6827,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,3,7.5 6828,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,3,7.5 6829,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 6830,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 6831,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,3,7.5 6832,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 6833,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 6834,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 6835,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 6836,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 6837,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 6838,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,3,7.5 6839,940,665,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 6840,936,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,AOEGDCIKXAEIGZ-UHFFFAOYSA-N,"InChI=1S/C60H52O26/c61-27-9-1-23(2-10-27)39-40(24-3-11-28(62)12-4-24)44(58(78)80-22-38-46(70)50(74)52(76)60(84-38)86-56-48(72)42-34(68)18-32(66)20-36(42)82-54(56)26-7-15-30(64)16-8-26)43(39)57(77)79-21-37-45(69)49(73)51(75)59(83-37)85-55-47(71)41-33(67)17-31(65)19-35(41)81-53(55)25-5-13-29(63)14-6-25/h1-20,37-40,43-46,49-52,59-70,73-76H,21-22H2",O=C(OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O)C1C(C(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(c2ccc(O)cc2)C1c1ccc(O)cc1,C60H52O26,pos_2_2proton,1188.274681784,AOEGDCIKXAEIGZ,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,1,8.5 6841,936,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DVGGLGXQSFURLP-DZQBGBETSA-N,"InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27?,30-/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)[C@@H](O)[C@@H]1O,C30H26O13,pos_1_1proton,594.137340892,DVGGLGXQSFURLP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla chinensis,493031.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla chinensis'],8,1,8.5 6842,936,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DVGGLGXQSFURLP-UHFFFAOYSA-N,"InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2",O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C30H26O13,pos_1_1proton,594.137340892,DVGGLGXQSFURLP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,1,8.5 6843,934,-1,,,,0.0,MS1_match,JCVAHBTVGCDSIP-OODLJGCKSA-N,"InChI=1S/C60H94O26/c1-25(2)12-11-17-59(9)49-33(79-27(4)62)20-58(8)29-13-14-35-56(5,6)36(16-18-57(35,7)28(29)15-19-60(49,58)55(73)86-59)81-53-47(38(67)31(64)23-77-53)85-54-48(84-50-40(69)37(66)30(63)22-75-50)41(70)44(26(3)78-54)82-51-42(71)45(32(65)24-76-51)83-52-43(72)46(74-10)39(68)34(21-61)80-52/h13,26,28,30-54,61,63-72H,1,11-12,14-24H2,2-10H3/t26-,28+,30-,31-,32-,33+,34-,35+,36+,37+,38+,39-,40-,41+,42-,43-,44-,45+,46+,47-,48-,49-,50+,51+,52+,53+,54+,57-,58+,59+,60-/m1/s1",C=C(C)CCC[C@]1(C)OC(=O)[C@]23CC[C@H]4C(=CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]2(C)C[C@H](OC(C)=O)[C@@H]31,C60H94O26,pos_2_1proton1potassium,1230.603333128,JCVAHBTVGCDSIP,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 6844,930,336,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 6845,927,-1,,,,0.0,MS1_match,QLJNETOQFQXTLI-WMYFGKAISA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1sodium,520.194461844,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 6846,927,-1,,,,0.0,MS1_match,QLJNETOQFQXTLI-WMYFGKAISA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1sodium,520.194461844,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Rubus amabilis,721758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus amabilis'],6,0,6.0 6847,927,-1,,,,0.0,MS1_match,QLJNETOQFQXTLI-WMYFGKAISA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1sodium,520.194461844,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 6848,927,-1,,,,0.0,MS1_match,QLJNETOQFQXTLI-WMYFGKAISA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1sodium,520.194461844,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Rubus amabilis,721758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus amabilis'],6,0,6.0 6849,926,775,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,0.0,MS1_match,OWZQLGWYJGXUMM-SUMWQHHRSA-N,"InChI=1S/C17H18O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-16(21-2)14(18)7-12(15)17(13)19/h3-8,13,17-19H,9H2,1-2H3/t13-,17+/m0/s1",COc1ccc([C@@H]2COc3cc(OC)c(O)cc3[C@H]2O)cc1,C17H18O5,pos_1_1proton1acetonitrile,302.115423676,OWZQLGWYJGXUMM,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 6850,926,775,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,0.0,MS1_match,VSAAZASKZGNSDL-SUMWQHHRSA-N,"InChI=1S/C17H18O5/c1-20-15-7-12-14(8-16(15)21-2)22-9-13(17(12)19)10-3-5-11(18)6-4-10/h3-8,13,17-19H,9H2,1-2H3/t13-,17+/m0/s1",COc1cc2c(cc1OC)[C@@H](O)[C@H](c1ccc(O)cc1)CO2,C17H18O5,pos_1_1proton1acetonitrile,302.115423676,VSAAZASKZGNSDL,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 6851,922,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 6852,922,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RUVINXPYWBROJD-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3",CC=Cc1ccc(OC)cc1,C10H12O,pos_1_1proton1methanol,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,3,7.5 6853,922,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RUVINXPYWBROJD-ONEGZZNKSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+",C/C=C/c1ccc(OC)cc1,C10H12O,pos_1_1proton1methanol,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],6,3,7.5 6854,922,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 6855,922,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 6856,922,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 6857,922,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 6858,922,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 6859,922,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,3,7.5 6860,921,-1,,,,0.0,MS1_match,FBKJBTAHNUQRBX-UHFFFAOYSA-N,"InChI=1S/C36H44O12/c1-13(2)25(37)22-31(43)20(11-18-28(40)16(7)35(47-9)23(33(18)45)26(38)14(3)4)30(42)21(32(22)44)12-19-29(41)17(8)36(48-10)24(34(19)46)27(39)15(5)6/h13-15,40-46H,11-12H2,1-10H3",COc1c(C)c(O)c(Cc2c(O)c(Cc3c(O)c(C)c(OC)c(C(=O)C(C)C)c3O)c(O)c(C(=O)C(C)C)c2O)c(O)c1C(=O)C(C)C,C36H44O12,pos_1_1sodium,668.283276848,FBKJBTAHNUQRBX,Polyketides,Phloroglucinols,Oligomeric phloroglucinols (phlorotannins),Hagenia abyssinica,328288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Hagenia'],['Hagenia abyssinica'],6,0,6.0 6861,921,-1,,,,0.0,MS1_match,FBKJBTAHNUQRBX-UHFFFAOYSA-N,"InChI=1S/C36H44O12/c1-13(2)25(37)22-31(43)20(11-18-28(40)16(7)35(47-9)23(33(18)45)26(38)14(3)4)30(42)21(32(22)44)12-19-29(41)17(8)36(48-10)24(34(19)46)27(39)15(5)6/h13-15,40-46H,11-12H2,1-10H3",COc1c(C)c(O)c(Cc2c(O)c(Cc3c(O)c(C)c(OC)c(C(=O)C(C)C)c3O)c(O)c(C(=O)C(C)C)c2O)c(O)c1C(=O)C(C)C,C36H44O12,pos_1_1sodium,668.283276848,FBKJBTAHNUQRBX,Polyketides,Phloroglucinols,Oligomeric phloroglucinols (phlorotannins),Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,6.0 6862,921,-1,,,,0.0,MS1_match,PFWJPXGNICZIQB-UHFFFAOYSA-N,"InChI=1S/C36H44O12/c1-8-11-22(37)25-31(43)20(14-18-28(40)16(4)35(47-6)26(33(18)45)23(38)12-9-2)30(42)21(32(25)44)15-19-29(41)17(5)36(48-7)27(34(19)46)24(39)13-10-3/h40-46H,8-15H2,1-7H3",CCCC(=O)c1c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)c1O,C36H44O12,pos_1_1sodium,668.283276848,PFWJPXGNICZIQB,Polyketides,Phloroglucinols,Oligomeric phloroglucinols (phlorotannins),Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,6.0 6863,919,73,Terpenoids,Steroids,Cholestane steroids,0.3347801,ISDB,IVNXPOCZLRVUIH-VHFRWLAGSA-N,"InChI=1S/C27H44O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,18-19,21-22,28H,7-9,11-17H2,1-6H3/t21-,22-,27-/m1/s1",CC(C)=CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)cc(C)c2O1,C27H44O2,,400.334130648,IVNXPOCZLRVUIH,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Actinidia chinensis var. deliciosa,279986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia deliciosa'],4,1,5.839120388031006 6864,918,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton1methanol,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 6865,918,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1methanol,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 6866,918,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1methanol,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 6867,918,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton1methanol,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 6868,918,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton1methanol,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 6869,918,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1proton1methanol,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 6870,918,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1proton1methanol,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 6871,918,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1proton1methanol,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 6872,918,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1proton1methanol,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 6873,918,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton1methanol,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 6874,917,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.40332636,ISDB,FELCJAPFJOPHSD-ROUWMTJPSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,FELCJAPFJOPHSD,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,11.113305449485779 6875,916,-1,,,,0.0,MS1_match,MXBVNILGVJVVMH-UHFFFAOYSA-N,InChI=1S/C8H6N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1-6H,c1cnc2cnccc2c1,C8H6N2,pos_1_1proton1methanol,130.053098192,MXBVNILGVJVVMH,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,0,6.0 6876,913,2,Fatty acids,Fatty amides,Fatty aldehydes,0.80529356,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,2,8.221174240112305 6877,912,506,Terpenoids,Sesquiterpenoids,Cedrane and Isocedrane sesquiterpenoids,0.0,MS1_match,OERWDJCNWLSHGW-RIEGTJTDSA-N,"InChI=1S/C15H18O2/c1-14(2)10-3-4-11(8-16)15(7-10)12(9-17)5-6-13(14)15/h4-5,8-10,13H,3,6-7H2,1-2H3/t10-,13+,15-/m1/s1",CC1(C)[C@@H]2CC=C(C=O)[C@]3(C2)C(C=O)=CC[C@@H]13,C15H18O2,pos_1_1proton1isopropanol,230.130679816,OERWDJCNWLSHGW,Terpenoids,Sesquiterpenoids,Cedrane and Isocedrane sesquiterpenoids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],6,3,7.5 6878,911,-1,,,,0.0,MS1_match,LNEZLIPXCBMQAT-XIKSMUEASA-N,"InChI=1S/C20H24O10/c1-27-13-6-10(7-14(28-2)16(13)23)9-3-4-12(11(22)5-9)29-20-19(26)18(25)17(24)15(8-21)30-20/h3-7,15,17-26H,8H2,1-2H3/t15-,17-,18+,19-,20-/m1/s1",COc1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)cc(OC)c1O,C20H24O10,pos_2_2proton2acetonitrile,424.1369469679999,LNEZLIPXCBMQAT,Shikimates and Phenylpropanoids,,,Pyracantha fortuneana,873501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha fortuneana'],7,0,7.0 6879,911,-1,,,,0.0,MS1_match,IFVMNCUQIWXERP-LWUBGYQZSA-N,"InChI=1S/C20H24O10/c1-27-12-6-9(7-13(28-2)16(12)23)10-4-3-5-11(15(10)22)29-20-19(26)18(25)17(24)14(8-21)30-20/h3-7,14,17-26H,8H2,1-2H3/t14-,17-,18+,19-,20-/m1/s1",COc1cc(-c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2O)cc(OC)c1O,C20H24O10,pos_2_2proton2acetonitrile,424.1369469679999,IFVMNCUQIWXERP,Shikimates and Phenylpropanoids,,,Pyracantha fortuneana,873501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha fortuneana'],7,0,7.0 6880,909,340,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,BZANQLIRVMZFOS-HOTMZDKISA-N,"InChI=1S/C10H20O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h6-14H,2-5H2,1H3/t6-,7-,8+,9-,10-/m1/s1",CCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H20O6,pos_2_2proton2acetonitrile,236.12598836,BZANQLIRVMZFOS,,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 6881,902,957,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XZRJEYQBLXDNNU-BFFMHGNPSA-N,"InChI=1S/C19H34O9/c1-10(27-16-15(24)14(23)13(22)12(9-20)28-16)5-6-19(26)17(2,3)7-11(21)8-18(19,4)25/h5-6,10-16,20-26H,7-9H2,1-4H3/b6-5+/t10-,11+,12+,13+,14-,15+,16+,18-,19-/m0/s1",C[C@@H](/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O9,pos_1_1sodium,406.220282668,XZRJEYQBLXDNNU,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 6882,899,-1,,,,0.0,MS1_match,WGPMCTNBJPAHNW-BYOLIVPTSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O12,pos_1_1sodium,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 6883,899,-1,,,,0.0,MS1_match,WGPMCTNBJPAHNW-BYOLIVPTSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O12,pos_1_1sodium,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6884,899,-1,,,,0.0,MS1_match,WGPMCTNBJPAHNW-UHFFFAOYSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3",CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C24H38O12,pos_1_1sodium,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 6885,899,-1,,,,0.0,MS1_match,WGPMCTNBJPAHNW-BYOLIVPTSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O12,pos_1_1sodium,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 6886,899,-1,,,,0.0,MS1_match,WGPMCTNBJPAHNW-BYOLIVPTSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O12,pos_1_1sodium,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6887,899,-1,,,,0.0,MS1_match,WGPMCTNBJPAHNW-UHFFFAOYSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3",CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C24H38O12,pos_1_1sodium,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 6888,899,-1,,,,0.0,MS1_match,ZHAMWJWQXSZIAQ-UHFFFAOYSA-N,"InChI=1S/C24H38O12/c1-11-7-13(25)8-23(3,4)24(11,32)6-5-12(2)35-22-20(31)18(29)17(28)15(36-22)10-34-21-19(30)16(27)14(26)9-33-21/h5-7,12,14-22,26-32H,8-10H2,1-4H3",CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O,C24H38O12,pos_1_1sodium,518.236326656,ZHAMWJWQXSZIAQ,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 6889,895,179,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_2MFe,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 6890,895,179,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_2MFe,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6891,893,-1,,,,0.0,MS1_match,HSTZMXCBWJGKHG-CUYWLFDKSA-N,"InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O8,pos_1_1sodium,390.131467664,HSTZMXCBWJGKHG,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 6892,893,-1,,,,0.0,MS1_match,HSTZMXCBWJGKHG-FSONJKCJSA-N,"InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m0/s1",OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O,C20H22O8,pos_1_1sodium,390.131467664,HSTZMXCBWJGKHG,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,8.0 6893,893,-1,,,,0.0,MS1_match,HSTZMXCBWJGKHG-CUYWLFDKSA-N,"InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O8,pos_1_1sodium,390.131467664,HSTZMXCBWJGKHG,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 6894,893,-1,,,,0.0,MS1_match,HSTZMXCBWJGKHG-FSONJKCJSA-N,"InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m0/s1",OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O,C20H22O8,pos_1_1sodium,390.131467664,HSTZMXCBWJGKHG,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,8.0 6895,893,-1,,,,0.0,MS1_match,HHSKNLJWHGXWPK-JNIAIEOXSA-N,"InChI=1S/C20H22O8/c21-10-13-8-4-5-9-14(13)27-20-18(24)17(23)16(22)15(28-20)11-26-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2/t15-,16-,17+,18-,20-/m0/s1",O=C(OC[C@@H]1O[C@H](Oc2ccccc2CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H22O8,pos_1_1sodium,390.131467664,HHSKNLJWHGXWPK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 6896,893,-1,,,,0.0,MS1_match,HHSKNLJWHGXWPK-JNIAIEOXSA-N,"InChI=1S/C20H22O8/c21-10-13-8-4-5-9-14(13)27-20-18(24)17(23)16(22)15(28-20)11-26-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2/t15-,16-,17+,18-,20-/m0/s1",O=C(OC[C@@H]1O[C@H](Oc2ccccc2CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H22O8,pos_1_1sodium,390.131467664,HHSKNLJWHGXWPK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 6897,891,453,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,MWGNJVCCJCKLGJ-UHFFFAOYSA-N,"InChI=1S/C30H36O10/c1-36-25-11-17(4-7-22(25)33)10-20-16-39-30(21(20)14-31)19-6-9-24(27(13-19)38-3)40-28(15-32)29(35)18-5-8-23(34)26(12-18)37-2/h4-9,11-13,20-21,28-35H,10,14-16H2,1-3H3",COc1cc(CC2COC(c3ccc(OC(CO)C(O)c4ccc(O)c(OC)c4)c(OC)c3)C2CO)ccc1O,C30H36O10,pos_1_1sodium,556.230847352,MWGNJVCCJCKLGJ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,3,8.5 6898,891,453,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,MWGNJVCCJCKLGJ-UHFFFAOYSA-N,"InChI=1S/C30H36O10/c1-36-25-11-17(4-7-22(25)33)10-20-16-39-30(21(20)14-31)19-6-9-24(27(13-19)38-3)40-28(15-32)29(35)18-5-8-23(34)26(12-18)37-2/h4-9,11-13,20-21,28-35H,10,14-16H2,1-3H3",COc1cc(CC2COC(c3ccc(OC(CO)C(O)c4ccc(O)c(OC)c4)c(OC)c3)C2CO)ccc1O,C30H36O10,pos_1_1sodium,556.230847352,MWGNJVCCJCKLGJ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,3,8.5 6899,886,-1,,,,0.0,MS1_match,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,pos_2_2proton,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],7,0,7.0 6900,881,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.3618591,ISDB,BCNPTKKIVMTZFO-UHFFFAOYSA-N,"InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3",CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=O,C22H30O2,,326.2245802,BCNPTKKIVMTZFO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,1,5.947436451911926 6901,881,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.3618591,ISDB,BCNPTKKIVMTZFO-BWEORVRESA-N,"InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3/b7-6+,10-8+,13-12+,17-9-,18-11+/t20-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=O)C(C)(C)C[C@H](O)C1,C22H30O2,,326.2245802,BCNPTKKIVMTZFO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,1,5.947436451911926 6902,880,-1,,,,0.24915576,ISDB,VRNQMWWERXXDMC-IBGZPJMESA-N,"InChI=1S/C19H28O/c1-6-19(5,20)13-11-15-9-10-17-16(14(15)2)8-7-12-18(17,3)4/h6,9-10,20H,1,7-8,11-13H2,2-5H3/t19-/m0/s1",C=C[C@](C)(O)CCc1ccc2c(c1C)CCCC2(C)C,C19H28O,,272.214015516,VRNQMWWERXXDMC,Terpenoids,Diterpenoids,,Haplopappus parvifolius,7599230.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Haplopappus'],['Haplopappus parvifolius'],4,0,4.9966230392456055 6903,879,-1,,,,0.0,MS1_match,SQPJPMMCBPDNJN-WPRPVWTQSA-N,"InChI=1S/C10H14O4/c1-6(2)3-8(11)10(13)7-4-9(12)14-5-7/h3-4,8,10-11,13H,5H2,1-2H3/t8-,10-/m0/s1",CC(C)=C[C@H](O)[C@@H](O)C1=CC(=O)OC1,C10H14O4,pos_1_1proton1methanol,198.089208928,SQPJPMMCBPDNJN,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 6904,879,-1,,,,0.0,MS1_match,SQPJPMMCBPDNJN-WPRPVWTQSA-N,"InChI=1S/C10H14O4/c1-6(2)3-8(11)10(13)7-4-9(12)14-5-7/h3-4,8,10-11,13H,5H2,1-2H3/t8-,10-/m0/s1",CC(C)=C[C@H](O)[C@@H](O)C1=CC(=O)OC1,C10H14O4,pos_1_1proton1methanol,198.089208928,SQPJPMMCBPDNJN,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 6905,879,-1,,,,0.0,MS1_match,PAZKVHTZNPAXBQ-AVPPRXQKSA-N,"InChI=1S/C11H18O5/c1-5-7-6-10(2,16-8(7)12)11(3,14)9(13)15-4/h7,14H,5-6H2,1-4H3/t7-,10-,11-/m1/s1",CC[C@@H]1C[C@](C)([C@](C)(O)C(=O)OC)OC1=O,C11H18O5,pos_1_1proton,230.115423676,PAZKVHTZNPAXBQ,,,,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 6906,879,-1,,,,0.0,MS1_match,PAZKVHTZNPAXBQ-UHFFFAOYSA-N,"InChI=1S/C11H18O5/c1-5-7-6-10(2,16-8(7)12)11(3,14)9(13)15-4/h7,14H,5-6H2,1-4H3",CCC1CC(C)(C(C)(O)C(=O)OC)OC1=O,C11H18O5,pos_1_1proton,230.115423676,PAZKVHTZNPAXBQ,,,,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 6907,876,-1,,,,0.0,MS1_match,AKCWKACKPGSALW-MJLBXUHQSA-N,"InChI=1S/C20H34O4/c1-7-20(6,23)13-9-12-17(11-8-10-16(2)3)15-24-18(21)14-19(4,5)22/h7,10,12,22-23H,1,8-9,11,13-15H2,2-6H3/b17-12-/t20-/m1/s1",C=C[C@@](C)(O)CC/C=C(/CCC=C(C)C)COC(=O)CC(C)(C)O,C20H34O4,pos_2MFe,338.245709568,AKCWKACKPGSALW,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,0,7.0 6908,873,213,Terpenoids,Steroids,Cholestane steroids,0.42279157,ISDB,DPSDDXTZAXTWGN-VXGBXAGGSA-N,"InChI=1S/C14H22O4/c1-4-5-6-7-8-9-11-10(2)13(15)18-12(11)14(16)17-3/h11-12H,2,4-9H2,1,3H3/t11-,12-/m1/s1",C=C1C(=O)O[C@@H](C(=O)OC)[C@@H]1CCCCCCC,C14H22O4,,254.151809184,DPSDDXTZAXTWGN,,,,Pestalotiopsis,443192.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Xylariales'],['Amphisphaeriaceae'],['Unknown'],['Pestalotiopsis'],['Unknown'],0,0,1.6911662817001343 6909,872,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.73674077,ISDB,LTUMRKDLVGQMJU-UHFFFAOYSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3",CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,8.94696307182312 6910,871,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 6911,870,-1,,,,0.0,MS1_match,FHBQRFOFZLGUSR-WCTCFVGCSA-N,"InChI=1S/C23H22O12/c1-30-13-4-9(5-14-22(13)32-8-31-14)21-19(28)16(25)11-3-2-10(6-12(11)34-21)33-23-20(29)18(27)17(26)15(7-24)35-23/h2-6,15,17-18,20,23-24,26-29H,7-8H2,1H3/t15-,17-,18+,20-,23-/m1/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c(=O)c2O)cc2c1OCO2,C23H22O12,pos_1_1proton1ammonium,490.111126144,FHBQRFOFZLGUSR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6912,870,-1,,,,0.0,MS1_match,FHBQRFOFZLGUSR-WCTCFVGCSA-N,"InChI=1S/C23H22O12/c1-30-13-4-9(5-14-22(13)32-8-31-14)21-19(28)16(25)11-3-2-10(6-12(11)34-21)33-23-20(29)18(27)17(26)15(7-24)35-23/h2-6,15,17-18,20,23-24,26-29H,7-8H2,1H3/t15-,17-,18+,20-,23-/m1/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c(=O)c2O)cc2c1OCO2,C23H22O12,pos_1_1proton1ammonium,490.111126144,FHBQRFOFZLGUSR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 6913,870,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton1ethylamine,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6914,870,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton1ethylamine,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6915,863,-1,,,,0.0,MS1_match,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,pos_1_1proton,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 6916,863,-1,,,,0.0,MS1_match,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,pos_1_1proton,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 6917,863,-1,,,,0.0,MS1_match,JQUOIYCKIVRFRH-ZZXAPCEGSA-N,"InChI=1S/C26H32O16/c27-7-16-18(31)20(33)22(35)25(41-16)39-14-4-1-10(5-13(14)30)9-38-24(37)11-2-3-12(29)15(6-11)40-26-23(36)21(34)19(32)17(8-28)42-26/h1-6,16-23,25-36H,7-9H2/t16-,17+,18-,19+,20+,21-,22-,23+,25-,26+/m1/s1",O=C(OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1)c1ccc(O)c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1,C26H32O16,pos_2_2proton,600.169034944,JQUOIYCKIVRFRH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],7,0,7.0 6918,862,-1,,,,0.0,MS1_match,UBWUZHMCADSLDT-SOHRVHQUSA-N,"InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C21H36O8,pos_1_1proton1ammonium,416.241018112,UBWUZHMCADSLDT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 6919,858,418,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.0,MS1_match,FEWJPZIEWOKRBE-UHFFFAOYSA-N,"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)",O=C(O)C(O)C(O)C(=O)O,C4H6O6,pos_1_1proton1methanol,150.016437912,FEWJPZIEWOKRBE,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 6920,858,418,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.0,MS1_match,FEWJPZIEWOKRBE-UHFFFAOYSA-N,"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)",O=C(O)C(O)C(O)C(=O)O,C4H6O6,pos_1_1proton1methanol,150.016437912,FEWJPZIEWOKRBE,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 6921,853,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.37119552,ISDB,GUPQNHIGLNUBOG-UHFFFAOYSA-N,"InChI=1S/C30H44O3/c1-18(2)20-10-13-30(25(32)33)15-14-27(5)21(24(20)30)8-9-23-28(27,6)12-11-22-26(3,4)16-19(17-31)29(22,23)7/h16-17,20-24H,1,8-15H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)C(C=O)=CC(C)(C)C5CCC43C)C12,C30H44O3,,452.329045268,GUPQNHIGLNUBOG,Terpenoids,Triterpenoids,Abeolupane triterpenoids,Alphitonia incana,5749479.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Unknown'],['Alphitonia'],['Alphitonia incana'],5,2,7.484782099723816 6922,853,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.37119552,ISDB,GUPQNHIGLNUBOG-XWZLEBTESA-N,"InChI=1S/C30H44O3/c1-18(2)20-10-13-30(25(32)33)15-14-27(5)21(24(20)30)8-9-23-28(27,6)12-11-22-26(3,4)16-19(17-31)29(22,23)7/h16-17,20-24H,1,8-15H2,2-7H3,(H,32,33)/t20-,21+,22-,23-,24+,27+,28+,29-,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C(C=O)=CC(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H44O3,,452.3290452679999,GUPQNHIGLNUBOG,Terpenoids,Triterpenoids,Abeolupane triterpenoids,Paliurus hemsleyanus,531921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Paliurus'],['Paliurus hemsleyanus'],5,2,7.484782099723816 6923,853,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.37119552,ISDB,GUPQNHIGLNUBOG-HYYJCJJOSA-N,"InChI=1S/C30H44O3/c1-18(2)20-10-13-30(25(32)33)15-14-27(5)21(24(20)30)8-9-23-28(27,6)12-11-22-26(3,4)16-19(17-31)29(22,23)7/h16-17,20-24H,1,8-15H2,2-7H3,(H,32,33)/t20-,21?,22-,23?,24?,27+,28+,29-,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(CCC4[C@@]5(C)C(C=O)=CC(C)(C)[C@@H]5CC[C@]43C)C12,C30H44O3,,452.329045268,GUPQNHIGLNUBOG,Terpenoids,Triterpenoids,Abeolupane triterpenoids,Ziziphus jujuba,73483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus jujuba'],5,2,7.484782099723816 6924,853,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.37119552,ISDB,GUPQNHIGLNUBOG-UHFFFAOYSA-N,"InChI=1S/C30H44O3/c1-18(2)20-10-13-30(25(32)33)15-14-27(5)21(24(20)30)8-9-23-28(27,6)12-11-22-26(3,4)16-19(17-31)29(22,23)7/h16-17,20-24H,1,8-15H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)C(C=O)=CC(C)(C)C5CCC43C)C12,C30H44O3,,452.329045268,GUPQNHIGLNUBOG,Terpenoids,Triterpenoids,Abeolupane triterpenoids,Alphitonia philippinensis,7056802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Unknown'],['Alphitonia'],['Alphitonia philippinensis'],5,2,7.484782099723816 6925,853,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.37119552,ISDB,GUPQNHIGLNUBOG-XWZLEBTESA-N,"InChI=1S/C30H44O3/c1-18(2)20-10-13-30(25(32)33)15-14-27(5)21(24(20)30)8-9-23-28(27,6)12-11-22-26(3,4)16-19(17-31)29(22,23)7/h16-17,20-24H,1,8-15H2,2-7H3,(H,32,33)/t20-,21+,22-,23-,24+,27+,28+,29-,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C(C=O)=CC(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H44O3,,452.3290452679999,GUPQNHIGLNUBOG,Terpenoids,Triterpenoids,Abeolupane triterpenoids,Ziziphus mauritiana,556043.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus mauritiana'],5,2,7.484782099723816 6926,851,2,Fatty acids,Fatty amides,Fatty aldehydes,0.3655503,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,2,6.462201237678528 6927,851,2,Fatty acids,Fatty amides,Fatty aldehydes,0.3655503,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,2,6.462201237678528 6928,851,2,Fatty acids,Fatty amides,Fatty aldehydes,0.3655503,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,2,6.462201237678528 6929,851,2,Fatty acids,Fatty amides,Fatty aldehydes,0.3655503,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,2,6.462201237678528 6930,851,2,Fatty acids,Fatty amides,Fatty aldehydes,0.3655503,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper guineense,233005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper guineense'],4,2,6.462201237678528 6931,851,2,Fatty acids,Fatty amides,Fatty aldehydes,0.3655503,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],4,2,6.462201237678528 6932,850,-1,,,,0.0,MS1_match,LWBHKKLWSUFUNZ-UHFFFAOYSA-N,"InChI=1S/C17H16O6/c1-21-10-6-12(19)17-13(20)8-15(23-16(17)7-10)9-3-4-14(22-2)11(18)5-9/h3-7,15,18-19H,8H2,1-2H3",COc1cc(O)c2c(c1)OC(c1ccc(OC)c(O)c1)CC2=O,C17H16O6,pos_1_1proton1ammonium,316.09468823199995,LWBHKKLWSUFUNZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 6933,850,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],8,0,8.0 6934,850,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus triloba,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,0,8.0 6935,850,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus ulmifolia,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,0,8.0 6936,850,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 6937,850,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 6938,850,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 6939,850,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 6940,850,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 6941,850,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 6942,850,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,0,8.0 6943,850,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton1ethylamine,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 6944,850,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],8,0,8.0 6945,850,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 6946,850,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 6947,850,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,0,8.0 6948,850,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,0,8.0 6949,850,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 6950,850,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 6951,850,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 6952,850,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 6953,850,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 6954,850,-1,,,,0.0,MS1_match,LWBHKKLWSUFUNZ-UHFFFAOYSA-N,"InChI=1S/C17H16O6/c1-21-10-6-12(19)17-13(20)8-15(23-16(17)7-10)9-3-4-14(22-2)11(18)5-9/h3-7,15,18-19H,8H2,1-2H3",COc1cc(O)c2c(c1)OC(c1ccc(OC)c(O)c1)CC2=O,C17H16O6,pos_1_1proton1ammonium,316.09468823199995,LWBHKKLWSUFUNZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 6955,850,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 6956,848,66,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1sodium,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,8.5 6957,848,66,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1sodium,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 6958,847,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 6959,847,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 6960,847,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_1_1proton,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 6961,842,-1,,,,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1sodium1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 6962,842,-1,,,,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1sodium1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 6963,841,-1,,,,0.0,MS1_match,HAVNCBAQNUDYRJ-UHFFFAOYSA-N,"InChI=1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-11-6-13(24)17(14(25)7-11)15(26)8-12(23)10-4-2-1-3-5-10/h1-7,16,18-22,24-25,27-29H,8-9H2",O=C(CC(=O)c1c(O)cc(OC2OC(CO)C(O)C(O)C2O)cc1O)c1ccccc1,C21H22O10,pos_1_1sodium,434.121296904,HAVNCBAQNUDYRJ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,8.0 6964,841,-1,,,,0.0,MS1_match,RPTYTMSENWYONU-UHFFFAOYSA-N,"InChI=1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-7-11(23)6-13(25)17(15)14(26)8-12(24)10-4-2-1-3-5-10/h1-7,16,18-23,25,27-29H,8-9H2",O=C(CC(=O)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O)c1ccccc1,C21H22O10,pos_1_1sodium,434.121296904,RPTYTMSENWYONU,Polyketides,Phloroglucinols,Acyl phloroglucinols,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,8.0 6965,839,856,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,RZLBDMQWYCAIEA-QDWIBDRMSA-N,"InChI=1S/C22H28O7/c1-25-11-5-6-15-7-10-18(20(12-15)27-3)29-21(14-23)22(28-4)16-8-9-17(24)19(13-16)26-2/h5-10,12-13,21-24H,11,14H2,1-4H3/b6-5+/t21-,22-/m1/s1",COC/C=C/c1ccc(O[C@H](CO)[C@H](OC)c2ccc(O)c(OC)c2)c(OC)c1,C22H28O7,pos_1_1proton1ammonium,404.1835032359999,RZLBDMQWYCAIEA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 6966,839,856,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,RZLBDMQWYCAIEA-QDWIBDRMSA-N,"InChI=1S/C22H28O7/c1-25-11-5-6-15-7-10-18(20(12-15)27-3)29-21(14-23)22(28-4)16-8-9-17(24)19(13-16)26-2/h5-10,12-13,21-24H,11,14H2,1-4H3/b6-5+/t21-,22-/m1/s1",COC/C=C/c1ccc(O[C@H](CO)[C@H](OC)c2ccc(O)c(OC)c2)c(OC)c1,C22H28O7,pos_1_1proton1ammonium,404.1835032359999,RZLBDMQWYCAIEA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 6967,835,-1,,,,0.28968972,ISDB,UIUSQYGQZRBKCC-NHWXEJKLSA-N,"InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-26,36-37,41H,5,27-29H2,1-4,6-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1",C=C1C=CCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C40H54O,,550.417466348,UIUSQYGQZRBKCC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-γ)",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,0,5.158758878707886 6968,832,-1,,,,0.0,MS1_match,SSCRSMIEYROIGW-SOVHRIKKSA-N,"InChI=1S/C18H22O9/c1-7(2)11-5-10(21)14-9(20)3-8(4-12(14)26-11)25-18-17(24)16(23)15(22)13(6-19)27-18/h3-5,7,13,15-20,22-24H,6H2,1-2H3/t13-,15-,16+,17-,18-/m1/s1",CC(C)c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C18H22O9,pos_1_1sodium,382.12638228399993,SSCRSMIEYROIGW,Polyketides,Chromanes,Chromones,Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,6.0 6969,832,-1,,,,0.0,MS1_match,HHSVKVXBLDSRCL-SOVHRIKKSA-N,"InChI=1S/C18H22O9/c1-2-3-8-4-10(20)14-11(21)5-9(6-12(14)25-8)26-18-17(24)16(23)15(22)13(7-19)27-18/h4-6,13,15-19,21-24H,2-3,7H2,1H3/t13-,15-,16+,17-,18-/m1/s1",CCCc1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C18H22O9,pos_1_1sodium,382.126382284,HHSVKVXBLDSRCL,Polyketides,Chromanes,Chromones,Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,6.0 6970,830,-1,,,,0.26800776,ISDB,LFYJSSARVMHQJB-QIXNEVBVSA-N,"InChI=1S/C18H24O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,7-12,14,19H,1,6,13H2,2-4H3/b14-12+/t18-/m1/s1",C=C[C@@](C)(/C=C/c1ccc(O)cc1)CCC=C(C)C,C18H24O,,256.182715388,LFYJSSARVMHQJB,Shikimates and Phenylpropanoids,,,Spiraea formosana,258075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea formosana'],6,0,7.072031021118164 6971,829,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1potassium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6972,829,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1potassium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 6973,829,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1potassium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 6974,829,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1potassium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 6975,829,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1potassium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6976,829,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1potassium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 6977,829,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1potassium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 6978,829,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1potassium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 6979,829,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1potassium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 6980,826,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ethylamine,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 6981,826,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ethylamine,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 6982,826,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ethylamine,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 6983,826,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ethylamine,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 6984,826,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,pos_1_1proton1ethylamine,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 6985,826,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,pos_1_1proton1ethylamine,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 6986,826,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,QOLJILMTPKQQQA-JGMJVPOWSA-N,"InChI=1S/C19H34O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12+,14-,15-,16+,17-,18-/m1/s1",CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H34O7,pos_1_1proton1acetonitrile,374.230453428,QOLJILMTPKQQQA,Terpenoids,Apocarotenoids,Megastigmanes,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 6987,826,59,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,QOLJILMTPKQQQA-JGMJVPOWSA-N,"InChI=1S/C19H34O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12+,14-,15-,16+,17-,18-/m1/s1",CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H34O7,pos_1_1proton1acetonitrile,374.230453428,QOLJILMTPKQQQA,Terpenoids,Apocarotenoids,Megastigmanes,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 6988,825,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1sodium1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 6989,823,215,Shikimates and Phenylpropanoids,Flavonoids,Flavans,0.0,MS1_match,ZQRNNAMGDDNHND-OYQCXUJZSA-N,"InChI=1S/C21H24O10/c22-8-17-18(26)19(27)20(28)21(31-17)30-16-7-10(23)6-15-11(16)2-4-14(29-15)9-1-3-12(24)13(25)5-9/h1,3,5-7,14,17-28H,2,4,8H2/t14-,17+,18+,19-,20+,21+/m0/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc3c2CC[C@@H](c2ccc(O)c(O)c2)O3)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O10,pos_1_1proton,436.136946968,ZQRNNAMGDDNHND,Shikimates and Phenylpropanoids,Flavonoids,Flavans,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 6990,822,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.58380234,ISDB,VRPRIAVYSREHAN-UHFFFAOYSA-N,"InChI=1S/C18H30/c1-3-4-5-6-7-8-9-11-14-17(2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3",CCCCCCCCCCC(C)c1ccccc1,C18H30,,246.23475096,VRPRIAVYSREHAN,,,,Acca sellowiana,9529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Acca'],['Acca sellowiana'],4,0,6.335209369659424 6991,821,-1,,,,0.0,MS1_match,DKTDHUGOEJFFSN-PJIJBLCYSA-N,"InChI=1S/C25H22O8/c26-17-3-1-11(5-21(17)30)13-7-16-15(8-19(13)28)20(29)10-23-25(16)14(9-24(32)33-23)12-2-4-18(27)22(31)6-12/h1-6,10,13-14,19,26-31H,7-9H2/t13-,14-,19-/m1/s1",O=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2C[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1,C25H22O8,pos_1_1proton1ammonium,450.13146766399984,DKTDHUGOEJFFSN,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 6992,821,-1,,,,0.0,MS1_match,DKTDHUGOEJFFSN-PJIJBLCYSA-N,"InChI=1S/C25H22O8/c26-17-3-1-11(5-21(17)30)13-7-16-15(8-19(13)28)20(29)10-23-25(16)14(9-24(32)33-23)12-2-4-18(27)22(31)6-12/h1-6,10,13-14,19,26-31H,7-9H2/t13-,14-,19-/m1/s1",O=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2C[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1,C25H22O8,pos_1_1proton1ammonium,450.13146766399984,DKTDHUGOEJFFSN,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 6993,818,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton1ammonium,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 6994,817,-1,,,,0.0,MS1_match,SHZMGEYUEFSGCM-DNRYLMBSSA-N,"InChI=1S/C15H20O8/c1-6-4-8(17)7-2-3-21-14(10(6)7)23-15-13(20)12(19)11(18)9(5-16)22-15/h2-4,7,9-16,18-20H,5H2,1H3/t7-,9+,10+,11+,12-,13+,14-,15-/m0/s1",CC1=CC(=O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H20O8,pos_1_1proton1ethylamine,328.1158176,SHZMGEYUEFSGCM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 6995,803,654,Shikimates and Phenylpropanoids,,,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1proton1ethylamine,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,1,6.5 6996,803,654,Shikimates and Phenylpropanoids,,,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1proton1ethylamine,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,1,6.5 6997,801,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_1_1proton1ammonium,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,8.5 6998,801,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_1_1proton1ammonium,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 6999,801,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_1_1proton1ammonium,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,1,8.5 7000,801,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_1_1proton1ammonium,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,1,8.5 7001,801,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_1_1proton1ammonium,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,1,8.5 7002,799,-1,,,,0.0,MS1_match,NVTNXPADRDASMP-PEXIWSMMSA-N,"InChI=1S/C17H30O10/c1-2-3-4-5-6-24-17-15(23)13(21)12(20)10(27-17)8-26-16-14(22)11(19)9(18)7-25-16/h3-4,9-23H,2,5-8H2,1H3/b4-3-/t9-,10-,11+,12-,13+,14-,15-,16+,17-/m1/s1",CC/C=C\CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C17H30O10,pos_1_1proton1ethylamine,394.18389716,NVTNXPADRDASMP,,,,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 7003,797,960,Terpenoids,Triterpenoids,Abeolupane triterpenoids,0.34924966,ISDB,MSWXOBSOIDJLPM-IYXPNRLESA-N,"InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-36(5)27(32(26)39)13-14-30-37(36,6)18-17-29-35(3,4)33(42)28(38(29,30)7)22-45-31(41)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40,42H,1,13-14,16-22H2,2-7H3,(H,43,44)/b15-10+/t26-,27+,28+,29-,30-,32+,33+,36+,37+,38-,39-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](COC(=O)/C=C/c6ccc(O)cc6)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H54O6,,618.392039448,MSWXOBSOIDJLPM,Terpenoids,Triterpenoids,Abeolupane triterpenoids,Paliurus hemsleyanus,531921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Paliurus'],['Paliurus hemsleyanus'],5,3,7.896998643875122 7004,793,538,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VKNUORWMCINMRB-UHFFFAOYSA-N,"InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3",CCOC(=O)CC(O)C(=O)OCC,C8H14O5,pos_2MNa,190.084123548,VKNUORWMCINMRB,Fatty acids,Fatty esters,Wax monoesters,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 7005,791,-1,,,,0.0,MS1_match,HUKWADINTARKBT-DDYRGYEHSA-N,"InChI=1S/C23H23NO9/c24-11-17(14-4-2-1-3-5-14)32-23-22(30)21(29)20(28)18(33-23)12-31-19(27)9-7-13-6-8-15(25)16(26)10-13/h1-10,17-18,20-23,25-26,28-30H,12H2/b9-7+/t17-,18+,20+,21-,22+,23+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C23H23NO9,pos_1_1proton1isopropanol,457.137281316,HUKWADINTARKBT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],6,0,6.0 7006,791,-1,,,,0.0,MS1_match,HUKWADINTARKBT-DDYRGYEHSA-N,"InChI=1S/C23H23NO9/c24-11-17(14-4-2-1-3-5-14)32-23-22(30)21(29)20(28)18(33-23)12-31-19(27)9-7-13-6-8-15(25)16(26)10-13/h1-10,17-18,20-23,25-26,28-30H,12H2/b9-7+/t17-,18+,20+,21-,22+,23+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C23H23NO9,pos_1_1proton1isopropanol,457.137281316,HUKWADINTARKBT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],6,0,6.0 7007,791,-1,,,,0.0,MS1_match,UPASGSSMBIZMDX-WNENLGFLSA-N,"InChI=1S/C24H28O10/c1-31-18-12-15(4-8-17(18)26)5-9-20(27)33-13-19-21(28)22(29)23(30)24(34-19)32-11-10-14-2-6-16(25)7-3-14/h2-9,12,19,21-26,28-30H,10-11,13H2,1H3/b9-5+/t19-,21-,22+,23-,24-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C24H28O10,pos_1_1proton1acetonitrile,476.168247096,UPASGSSMBIZMDX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],6,0,6.0 7008,791,-1,,,,0.0,MS1_match,GTNBYGORCDLAFG-KAJSMZSISA-N,"InChI=1S/C24H28O10/c1-31-14-5-2-12(3-6-14)4-7-15-8-13-9-16(10-17(26)19(13)23(30)32-15)33-24-22(29)21(28)20(27)18(11-25)34-24/h2-3,5-6,9-10,15,18,20-22,24-29H,4,7-8,11H2,1H3/t15-,18+,20+,21-,22+,24+/m0/s1",COc1ccc(CC[C@H]2Cc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3C(=O)O2)cc1,C24H28O10,pos_1_1proton1acetonitrile,476.1682470959998,GTNBYGORCDLAFG,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,6.0 7009,790,-1,,,,0.285492,ISDB,KCYRZEFVHDREPK-RIFYHBPYSA-N,"InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3/t29-,31-,32-,33-,34-,35+,36-/m1/s1",CCCCCCCCCC[C@H]1O[C@@H]1CC[C@@H]1O[C@@H]1CC[C@H]1O[C@@H]1CCCCCCCCCCCCC1=C[C@@H](C)OC1=O,C37H64O5,,588.475375148,KCYRZEFVHDREPK,Polyketides,Linear polyketides,Acetogenins,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,0,5.141968011856079 7010,790,-1,,,,0.285492,ISDB,KCYRZEFVHDREPK-RIFYHBPYSA-N,"InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3/t29-,31-,32-,33-,34-,35+,36-/m1/s1",CCCCCCCCCC[C@H]1O[C@@H]1CC[C@@H]1O[C@@H]1CC[C@H]1O[C@@H]1CCCCCCCCCCCCC1=C[C@@H](C)OC1=O,C37H64O5,,588.475375148,KCYRZEFVHDREPK,Polyketides,Linear polyketides,Acetogenins,Annona rensoniana,321538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona rensoniana'],4,0,5.141968011856079 7011,790,-1,,,,0.285492,ISDB,KCYRZEFVHDREPK-UHFFFAOYSA-N,"InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3",CCCCCCCCCCC1OC1CCC1OC1CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O,C37H64O5,,588.475375148,KCYRZEFVHDREPK,Polyketides,Linear polyketides,Acetogenins,Annona reticulata,94924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona reticulata'],4,0,5.141968011856079 7012,790,-1,,,,0.285492,ISDB,KCYRZEFVHDREPK-PVBUPMEXSA-N,"InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3/t29-,31-,32+,33+,34-,35-,36+/m1/s1",CCCCCCCCCC[C@H]1O[C@H]1CC[C@H]1O[C@H]1CC[C@H]1O[C@H]1CCCCCCCCCCCCC1=C[C@@H](C)OC1=O,C37H64O5,,588.475375148,KCYRZEFVHDREPK,Polyketides,Linear polyketides,Acetogenins,Uvaria chamae,340656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria chamae'],4,0,5.141968011856079 7013,789,133,Shikimates and Phenylpropanoids,Xanthones,Simple coumarins,0.0,MS1_match,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,pos_1_1proton,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,1,9.5 7014,788,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1potassium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7015,788,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1potassium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7016,787,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 7017,787,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 7018,783,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ammonium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,1,6.5 7019,783,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ammonium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,1,6.5 7020,783,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,1,6.5 7021,783,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,1,6.5 7022,783,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,1,6.5 7023,783,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,1,6.5 7024,782,-1,,,,0.0,MS1_match,BEKZXQKGTDVSKX-UHFFFAOYSA-N,"InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18-4-2/h3-18H2,1-2H3",CCCCCCCCCCCCCCCC(=O)OCCC,C19H38O2,pos_2_2sodium,298.287180456,BEKZXQKGTDVSKX,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7025,782,-1,,,,0.0,MS1_match,PGMYKACGEOXYJE-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3",CCCCCOC(C)=O,C7H14O2,pos_1_1proton1acetonitrile,130.099379688,PGMYKACGEOXYJE,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7026,782,-1,,,,0.0,MS1_match,HUAZGNHGCJGYNP-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3",CCCOC(=O)CCC,C7H14O2,pos_1_1proton1acetonitrile,130.099379688,HUAZGNHGCJGYNP,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7027,782,-1,,,,0.0,MS1_match,JAELLLITIZHOGQ-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-5-6(8)9-7(2,3)4/h5H2,1-4H3",CCC(=O)OC(C)(C)C,C7H14O2,pos_1_1proton1acetonitrile,130.099379688,JAELLLITIZHOGQ,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7028,781,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PCMORTLOPMLEFB-ONEGZZNKSA-N,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+",COc1cc(/C=C/C(=O)O)cc(OC)c1O,C11H12O5,pos_2MHCH3CN,224.068473484,PCMORTLOPMLEFB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 7029,781,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PCMORTLOPMLEFB-ONEGZZNKSA-N,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+",COc1cc(/C=C/C(=O)O)cc(OC)c1O,C11H12O5,pos_2MHCH3CN,224.068473484,PCMORTLOPMLEFB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 7030,780,-1,,,,0.0,MS1_match,PCMORTLOPMLEFB-ONEGZZNKSA-N,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+",COc1cc(/C=C/C(=O)O)cc(OC)c1O,C11H12O5,pos_1_1proton,224.068473484,PCMORTLOPMLEFB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7031,778,820,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,pos_2_1magnesium,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 7032,778,820,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,pos_2_1magnesium,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 7033,778,820,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,pos_2_1magnesium,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 7034,777,-1,,,,0.0,MS1_match,ADHNTNYEJYJUCU-ZSJFXSENSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-15-14(21)13(20)11(7-17)24-16(15)22/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16?/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O,C16H20O9,pos_1_1proton,356.11073222,ADHNTNYEJYJUCU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7035,777,-1,,,,0.0,MS1_match,FWHJRKHBZLMKQW-DZLOKQDQSA-N,"InChI=1S/C16H20O9/c1-25-12-6-8(2-4-9(12)18)3-5-10(19)13(21)15(23)16(24)14(22)11(20)7-17/h2-6,11,14-18,20,22-24H,7H2,1H3/b5-3+/t11-,14-,15+,16+/m1/s1",COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H20O9,pos_1_1proton,356.1107322199999,FWHJRKHBZLMKQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7036,775,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,FAMPSKZZVDUYOS-HRGUGZIWSA-N,"InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+",C/C1=C\CC/C(C)=C/CC(C)(C)/C=C/C1,C15H24,pos_1_1proton1methanol,204.187800768,FAMPSKZZVDUYOS,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,10.0 7037,771,614,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.55727285,ISDB,XRCMEOXEWNTAPL-BYCMXARLSA-N,"InChI=1S/C16H24O3/c1-10-4-6-14(11(2)9-17)15-8-12(16(18)19-3)5-7-13(10)15/h8,11,14-15,17H,4-7,9H2,1-3H3/t11-,14+,15-/m1/s1",COC(=O)C1=C[C@@H]2C(=C(C)CC[C@H]2[C@H](C)CO)CC1,C16H24O3,,264.172544628,XRCMEOXEWNTAPL,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca subaxillaris,206813.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],0,3,3.7290914058685303 7038,770,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 7039,770,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,3,7.5 7040,770,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 7041,770,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 7042,770,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 7043,770,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 7044,770,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RUVINXPYWBROJD-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3",CC=Cc1ccc(OC)cc1,C10H12O,pos_1_1proton1methanol,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,3,7.5 7045,770,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RUVINXPYWBROJD-ONEGZZNKSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+",C/C=C/c1ccc(OC)cc1,C10H12O,pos_1_1proton1methanol,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],6,3,7.5 7046,770,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 7047,769,126,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.46161905,ISDB,ZTTWSILEGFVQPN-CQALACEOSA-N,"InChI=1S/C31H48O/c1-19(2)31-16-11-20(3)21(4)27(31)24-9-10-26-28(6)14-13-25(32)22(5)23(28)12-15-30(26,8)29(24,7)17-18-31/h9,20-21,23,25-27,32H,1,5,10-18H2,2-4,6-8H3/t20-,21+,23+,25+,26-,27+,28+,29-,30-,31-/m1/s1",C=C1[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=C)C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C31H48O,,436.370516156,ZTTWSILEGFVQPN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Alstonia scholaris,749453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Alstonieae'],['Alstonia'],['Alstonia scholaris'],4,3,7.346476197242737 7048,767,-1,,,,0.0,MS1_match,PGYAYSRVSAJXTE-FTLOKQSXSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20-/t22?,33-,34-,38+,39+,40-/m0/s1",CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_1_1sodium,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,0,7.0 7049,767,-1,,,,0.0,MS1_match,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_1_1sodium,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,0,7.0 7050,767,-1,,,,0.0,MS1_match,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_1_1sodium,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,0,7.0 7051,767,-1,,,,0.0,MS1_match,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_1_1sodium,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,0,7.0 7052,767,-1,,,,0.0,MS1_match,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_1_1sodium,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,0,7.0 7053,764,469,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,XAPCMTMQBXLDBB-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3",CCCCCCOC(=O)CCC,C10H20O2,pos_2MCH3CNNa,172.14632988,XAPCMTMQBXLDBB,Fatty acids,Fatty esters,Wax monoesters,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 7054,764,469,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,RPRPDTXKGSIXMD-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3",CCCCCC(=O)OCCCC,C10H20O2,pos_2MCH3CNNa,172.14632988,RPRPDTXKGSIXMD,Fatty acids,Fatty esters,Wax monoesters,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 7055,763,-1,,,,0.21149355,ISDB,,,,,,,AEOPOJXVDKIMSQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8459742069244385 7056,761,410,,,,0.34227687,ISDB,,,,,,,ARZRXRPBBDNCIX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3691074848175049 7057,759,581,Shikimates and Phenylpropanoids,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 7058,759,581,Shikimates and Phenylpropanoids,,,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1sodium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 7059,759,581,Shikimates and Phenylpropanoids,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 7060,759,581,Shikimates and Phenylpropanoids,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 7061,759,581,Shikimates and Phenylpropanoids,,,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1sodium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 7062,759,581,Shikimates and Phenylpropanoids,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 7063,758,634,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,MGSRCZKZVOBKFT-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3",Cc1ccc(C(C)C)c(O)c1,C10H14O,pos_2MH,150.104465068,MGSRCZKZVOBKFT,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7064,755,597,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",0.22819509,ISDB,IAEFJGPZEPGPGJ-HMHVFHPLSA-N,"InChI=1S/C40H52O/c1-32(19-12-21-34(3)22-13-23-35(4)24-15-26-37(6)31-41)17-10-11-18-33(2)20-14-25-36(5)28-29-39-38(7)27-16-30-40(39,8)9/h10-15,17-26,28-29,31H,16,27,30H2,1-9H3/b11-10+,19-12+,20-14+,22-13+,24-15+,29-28+,32-17+,33-18+,34-21+,35-23+,36-25+,37-26+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)CCC1,C40H52O,,548.401816284,IAEFJGPZEPGPGJ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Cystofilobasidium infirmominiatum,80030.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Tremellomycetes'],['Cystofilobasidiales'],['Cystofilobasidiaceae'],['Unknown'],['Cystofilobasidium'],['Cystofilobasidium infirmominiatum'],1,3,3.4127803444862366 7065,754,344,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 7066,754,344,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 7067,754,344,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-UHFFFAOYSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)",CCCCCC=CCC=CCCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,3,9.5 7068,754,344,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 7069,754,344,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 7070,754,344,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 7071,754,344,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-IXWMQOLASA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9+",CCCCC/C=C\C/C=C/CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 7072,754,344,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 7073,752,53,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.3130766,ISDB,POIARNZEYGURDG-UHFFFAOYSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3",CC=CC(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,10.752306342124939 7074,749,669,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,ZZTOVZGFHZQEAT-FBEISHDNSA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-3-8(1-2-11(15)24)20-13(26)6-10-12(25)4-9(23)5-14(10)30-20/h1-5,13,16-29H,6-7H2/t13-,16+,17+,18-,19+,20+,21+/m0/s1",OC[C@H]1O[C@@H](Oc2cc([C@H]3Oc4cc(O)cc(O)c4C[C@@H]3O)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O11,pos_1_1sodium,452.131861588,ZZTOVZGFHZQEAT,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],8,3,9.5 7075,749,669,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,YOVYWMDLYSJYPO-UHFFFAOYSA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-5,15-29H,6-7H2",OCC1OC(OC2Cc3c(O)cc(O)cc3OC2c2ccc(O)c(O)c2)C(O)C(O)C1O,C21H24O11,pos_1_1sodium,452.131861588,YOVYWMDLYSJYPO,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],8,3,9.5 7076,749,669,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,YOVYWMDLYSJYPO-UHFFFAOYSA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-5,15-29H,6-7H2",OCC1OC(OC2Cc3c(O)cc(O)cc3OC2c2ccc(O)c(O)c2)C(O)C(O)C1O,C21H24O11,pos_1_1sodium,452.131861588,YOVYWMDLYSJYPO,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],8,3,9.5 7077,748,135,Fatty acids,Fatty esters,Wax monoesters,0.29906982,ISDB,NEHDRDVHPTWWFG-UHFFFAOYSA-N,"InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3",CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,C22H42O4,,370.308309824,NEHDRDVHPTWWFG,Fatty acids,Fatty esters,Wax monoesters,Launaea resedifolia,7621166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Launaea'],['Launaea resedifolia'],0,3,2.696279287338257 7078,748,135,Fatty acids,Fatty esters,Wax monoesters,0.29906982,ISDB,NEHDRDVHPTWWFG-UHFFFAOYSA-N,"InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3",CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,C22H42O4,,370.308309824,NEHDRDVHPTWWFG,Fatty acids,Fatty esters,Wax monoesters,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.696279287338257 7079,745,-1,,,,0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1proton1ethylamine,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 7080,745,-1,,,,0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1proton1ethylamine,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 7081,744,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ethylamine,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 7082,744,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ethylamine,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 7083,744,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 7084,744,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 7085,744,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 7086,744,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 7087,743,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.0,MS1_match,JAZBEHYOTPTENJ-UHFFFAOYSA-N,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O,C20H30O2,pos_1_1proton1methanol,302.2245802,JAZBEHYOTPTENJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,3,8.5 7088,740,63,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_1_1proton,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7089,739,-1,,,,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7090,739,-1,,,,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7091,739,-1,,,,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7092,739,-1,,,,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 7093,739,-1,,,,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7094,739,-1,,,,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 7095,738,469,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,XAPCMTMQBXLDBB-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3",CCCCCCOC(=O)CCC,C10H20O2,pos_2MCH3CNNa,172.14632988,XAPCMTMQBXLDBB,Fatty acids,Fatty esters,Wax monoesters,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 7096,738,469,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,RPRPDTXKGSIXMD-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3",CCCCCC(=O)OCCCC,C10H20O2,pos_2MCH3CNNa,172.14632988,RPRPDTXKGSIXMD,Fatty acids,Fatty esters,Wax monoesters,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 7097,735,-1,,,,0.0,MS1_match,TZEMRDVCZWVBHT-UTTQFQDJSA-N,"InChI=1S/C24H24O12/c25-14-5-1-12(9-16(14)27)3-7-19(29)34-11-18-21(31)22(32)23(33)24(35-18)36-20(30)8-4-13-2-6-15(26)17(28)10-13/h1-10,18,21-28,31-33H,11H2/b7-3+,8-4+/t18-,21-,22+,23-,24+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H24O12,pos_1_1sodium,504.126776208,TZEMRDVCZWVBHT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 7098,734,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.50119895,ISDB,,,,,,,ZAFZFHLQBNISDI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.004795789718628 7099,733,67,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MHNH3,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 7100,733,67,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MHNH3,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 7101,732,73,Terpenoids,Steroids,Cholestane steroids,0.30105832,ISDB,ICFXJOAKQGDRCT-ZIHMWMKCSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,ICFXJOAKQGDRCT,Terpenoids,Steroids,Stigmastane steroids,Photinia lucida,346362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia lucida'],6,2,8.204233288764954 7102,732,73,Terpenoids,Steroids,Cholestane steroids,0.30105832,ISDB,ICFXJOAKQGDRCT-ZIHMWMKCSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,ICFXJOAKQGDRCT,Terpenoids,Steroids,Stigmastane steroids,Pourthiaea arguta,3903609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pourthiaea'],['Pourthiaea arguta'],6,2,8.204233288764954 7103,731,-1,,,,0.5631914,ISDB,QFTPTUOKFIIFJH-MODFVPIOSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11-,13-,14-,15+,16-,17-,19-/m1/s1",C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.20971798399984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Helicia cochinchinensis,835265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Proteaceae'],['Unknown'],['Helicia'],['Helicia cochinchinensis'],4,0,6.252765655517578 7104,731,-1,,,,0.5631914,ISDB,QFTPTUOKFIIFJH-AATRIKPKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+",CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],4,0,6.252765655517578 7105,731,-1,,,,0.5631914,ISDB,QFTPTUOKFIIFJH-MODFVPIOSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11-,13-,14-,15+,16-,17-,19-/m1/s1",C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.20971798399984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Myrsine seguinii,659787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Myrsine'],['Myrsine seguinii'],4,0,6.252765655517578 7106,731,-1,,,,0.5631914,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],4,0,6.252765655517578 7107,731,-1,,,,0.5631914,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia chamaemelifolia,119282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia chamaemelifolia'],4,0,6.252765655517578 7108,731,-1,,,,0.5631914,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia gmelinii,115033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia gmelinii'],4,0,6.252765655517578 7109,731,-1,,,,0.5631914,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia santolinifolia,154486.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia santolinifolia'],4,0,6.252765655517578 7110,731,-1,,,,0.5631914,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia stechmanniana,154486.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia santolinifolia'],4,0,6.252765655517578 7111,728,63,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7184963,ISDB,MMMHCJBWWHOBSS-UHFFFAOYSA-N,"InChI=1S/C13H10O5/c1-6-2-11-8(5-17-6)13(16)7-3-9(14)10(15)4-12(7)18-11/h2-4,14-15H,5H2,1H3",CC1=Cc2oc3cc(O)c(O)cc3c(=O)c2CO1,C13H10O5,,246.05282342,MMMHCJBWWHOBSS,Shikimates and Phenylpropanoids,,,Myxotrichum,808934.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Unknown'],['Myxotrichaceae'],['Unknown'],['Myxotrichum'],['Unknown'],1,1,4.373985290527344 7112,724,2,Fatty acids,Fatty amides,Fatty aldehydes,0.39982554,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],4,2,6.599302172660828 7113,724,2,Fatty acids,Fatty amides,Fatty aldehydes,0.39982554,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper sintenense,5478628.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sintenense'],4,2,6.599302172660828 7114,724,2,Fatty acids,Fatty amides,Fatty aldehydes,0.39982554,ISDB,BBRMJCAPNGJKEM-UHFFFAOYSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)",CCCCCCCC=CC=CC(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,2,6.599302172660828 7115,724,2,Fatty acids,Fatty amides,Fatty aldehydes,0.39982554,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper peepuloides,6031282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper peepuloides'],4,2,6.599302172660828 7116,724,2,Fatty acids,Fatty amides,Fatty aldehydes,0.39982554,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,2,6.599302172660828 7117,724,2,Fatty acids,Fatty amides,Fatty aldehydes,0.39982554,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Leucocyclus formosus,616330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Leucocyclus'],['Leucocyclus formosus'],4,2,6.599302172660828 7118,724,2,Fatty acids,Fatty amides,Fatty aldehydes,0.39982554,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper formosum,6030745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper formosum'],4,2,6.599302172660828 7119,724,2,Fatty acids,Fatty amides,Fatty aldehydes,0.39982554,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Anacyclus pyrethrum,531427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Anacyclus'],['Anacyclus pyrethrum'],4,2,6.599302172660828 7120,724,2,Fatty acids,Fatty amides,Fatty aldehydes,0.39982554,ISDB,BBRMJCAPNGJKEM-UHFFFAOYSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)",CCCCCCCC=CC=CC(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,2,6.599302172660828 7121,724,2,Fatty acids,Fatty amides,Fatty aldehydes,0.39982554,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,2,6.599302172660828 7122,724,2,Fatty acids,Fatty amides,Fatty aldehydes,0.39982554,ISDB,BBRMJCAPNGJKEM-UHFFFAOYSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)",CCCCCCCC=CC=CC(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],4,2,6.599302172660828 7123,724,2,Fatty acids,Fatty amides,Fatty aldehydes,0.39982554,ISDB,BBRMJCAPNGJKEM-UHFFFAOYSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)",CCCCCCCC=CC=CC(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Echinacea angustifolia,618371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea angustifolia'],4,2,6.599302172660828 7124,724,2,Fatty acids,Fatty amides,Fatty aldehydes,0.39982554,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Echinacea pallida,608924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea pallida'],4,2,6.599302172660828 7125,723,407,Terpenoids,Pseudoalkaloids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1sodium,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 7126,723,407,Terpenoids,Pseudoalkaloids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1sodium,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 7127,723,407,Terpenoids,Pseudoalkaloids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1sodium,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 7128,723,407,Terpenoids,Pseudoalkaloids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1sodium,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 7129,723,407,Terpenoids,Pseudoalkaloids,Megastigmanes,0.0,MS1_match,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,pos_1_1sodium,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 7130,723,407,Terpenoids,Pseudoalkaloids,Megastigmanes,0.0,MS1_match,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,pos_1_1sodium,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 7131,714,237,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Estrane steroids,0.0,MS1_match,VOXZDWNPVJITMN-PNKHAZJDSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15+,16+,17-,18-/m0/s1",C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC[C@@H]2O,C18H24O2,pos_2_2proton,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 7132,713,-1,,,,0.0,MS1_match,RAXXBLUAHMNNDW-MHKXYFPYSA-N,"InChI=1S/C19H22O5/c1-9-7-18-8-10(9)11(20)6-12(18)19-5-3-4-17(2,16(23)24-19)14(19)13(18)15(21)22/h3,5,10-14,20H,1,4,6-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MNa,330.146723804,RAXXBLUAHMNNDW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7133,713,-1,,,,0.0,MS1_match,UXLXLQYIDWLPKX-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,6,11-13,23H,1,4-5,7-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12C=CCC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MNa,330.146723804,UXLXLQYIDWLPKX,Terpenoids,Diterpenoids,Gibberellins,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 7134,713,-1,,,,0.0,MS1_match,UXLXLQYIDWLPKX-VCBPHAENSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,6,11-13,23H,1,4-5,7-9H2,2H3,(H,20,21)/t11-,12-,13-,16+,17-,18+,19+/m1/s1",C=C1C[C@@]23C[C@@]1(O)CC[C@H]2[C@]12C=CC[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MNa,330.146723804,UXLXLQYIDWLPKX,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7135,713,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MNa,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7136,713,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MNa,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7137,713,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MNa,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus sibirica,296729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus sibirica'],8,0,8.0 7138,713,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MNa,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus mandshurica,692781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mandshurica'],8,0,8.0 7139,713,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MNa,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7140,713,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MNa,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7141,713,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MNa,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7142,713,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MNa,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7143,713,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MNa,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus sibirica,296729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus sibirica'],8,0,8.0 7144,713,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MNa,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus mandshurica,692781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mandshurica'],8,0,8.0 7145,713,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MNa,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7146,713,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MNa,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7147,712,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 7148,712,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,3,9.5 7149,712,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,3,9.5 7150,712,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 7151,712,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 7152,709,-1,,,,0.0,MS1_match,RAFHNDRXYHOLSH-SFTVRKLSSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O11,pos_1_1sodium,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7153,709,-1,,,,0.0,MS1_match,RAFHNDRXYHOLSH-SFTVRKLSSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O11,pos_1_1sodium,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7154,709,-1,,,,0.0,MS1_match,RAFHNDRXYHOLSH-SFTVRKLSSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O11,pos_1_1sodium,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7155,706,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 7156,706,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 7157,706,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 7158,706,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 7159,706,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 7160,706,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 7161,706,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus triloba,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,3,9.5 7162,706,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],8,3,9.5 7163,706,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 7164,706,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus ulmifolia,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,3,9.5 7165,703,568,Amino acids and Peptides,Fatty esters,Aminoacids,0.30437165,ISDB,GUAHPAJOXVYFON-UHFFFAOYSA-N,"InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)",CC(N)C(=O)CCCCCC(=O)O,C9H17NO3,,187.120843404,GUAHPAJOXVYFON,Amino acids and Peptides,Small peptides,Aminoacids,Phycomyces blakesleeanus,735973.0,['Eukaryota'],['Fungi'],['Unknown'],['Mucoromycetes'],['Mucorales'],['Phycomycetaceae'],['Unknown'],['Phycomyces'],['Phycomyces blakesleeanus'],1,3,3.717486619949341 7166,703,568,Amino acids and Peptides,Fatty esters,Aminoacids,0.30437165,ISDB,GUAHPAJOXVYFON-UHFFFAOYSA-N,"InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)",CC(N)C(=O)CCCCCC(=O)O,C9H17NO3,,187.120843404,GUAHPAJOXVYFON,Amino acids and Peptides,Small peptides,Aminoacids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],1,3,3.717486619949341 7167,703,568,Amino acids and Peptides,Fatty esters,Aminoacids,0.30437165,ISDB,GUAHPAJOXVYFON-UHFFFAOYSA-N,"InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)",CC(N)C(=O)CCCCCC(=O)O,C9H17NO3,,187.120843404,GUAHPAJOXVYFON,Amino acids and Peptides,Small peptides,Aminoacids,Leishmania donovani,766598.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Leishmania'],['Leishmania donovani'],1,3,3.717486619949341 7168,703,568,Amino acids and Peptides,Fatty esters,Aminoacids,0.30437165,ISDB,GUAHPAJOXVYFON-UHFFFAOYSA-N,"InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)",CC(N)C(=O)CCCCCC(=O)O,C9H17NO3,,187.120843404,GUAHPAJOXVYFON,Amino acids and Peptides,Small peptides,Aminoacids,Ailuropoda melanoleuca,872573.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Carnivora'],['Ursidae'],['Unknown'],['Ailuropoda'],['Ailuropoda melanoleuca'],1,3,3.717486619949341 7169,701,273,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ammonium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7170,701,273,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ammonium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7171,701,273,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ammonium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7172,697,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9295913,ISDB,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,14.21836519241333 7173,695,244,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5550214,ISDB,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,12.720085620880127 7174,693,104,Shikimates and Phenylpropanoids,Peptide alkaloids,Simple phenolic acids,0.0,MS1_match,KZMACGJDUUWFCH-UHFFFAOYSA-O,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(OC)c1O,C17H15O7+,pos_1_minus1proton1calcium,331.08122924008995,KZMACGJDUUWFCH,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,1,8.5 7175,692,415,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,OYRNAQRKPVOICQ-JKNURMDQSA-N,"InChI=1S/C18H30O10/c1-4-25-11(12-16(28-17(12)24)9(20)5-8(2)3)7-26-18-15(23)14(22)13(21)10(6-19)27-18/h5,9-16,18-23H,4,6-7H2,1-3H3/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",CCO[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C,C18H30O10,pos_1_1sodium,406.1838971599999,OYRNAQRKPVOICQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,3,7.5 7176,692,415,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,OYRNAQRKPVOICQ-JKNURMDQSA-N,"InChI=1S/C18H30O10/c1-4-25-11(12-16(28-17(12)24)9(20)5-8(2)3)7-26-18-15(23)14(22)13(21)10(6-19)27-18/h5,9-16,18-23H,4,6-7H2,1-3H3/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",CCO[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C,C18H30O10,pos_1_1sodium,406.1838971599999,OYRNAQRKPVOICQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,3,7.5 7177,687,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.32816383,ISDB,GTBFQOGSRWBGDY-UJHNSAFVSA-N,"InChI=1S/C27H34O/c1-24(2)21-11-13-27-15-14-25(3,18-27)12-10-22(27)26(21,4)17-20(23(24)28)16-19-8-6-5-7-9-19/h5-9,14-16,21-22H,10-13,17-18H2,1-4H3/b20-16+/t21-,22+,25-,26-,27+/m1/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@H]12)C3,C27H34O,,374.260965708,GTBFQOGSRWBGDY,Terpenoids,Diterpenoids,Beyerane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,1,5.812655329704285 7178,686,2,Fatty acids,Fatty amides,Fatty aldehydes,0.36169827,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,2,6.446793079376221 7179,686,2,Fatty acids,Fatty amides,Fatty aldehydes,0.36169827,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,2,6.446793079376221 7180,686,2,Fatty acids,Fatty amides,Fatty aldehydes,0.36169827,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,2,6.446793079376221 7181,686,2,Fatty acids,Fatty amides,Fatty aldehydes,0.36169827,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,2,6.446793079376221 7182,686,2,Fatty acids,Fatty amides,Fatty aldehydes,0.36169827,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper guineense,233005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper guineense'],4,2,6.446793079376221 7183,686,2,Fatty acids,Fatty amides,Fatty aldehydes,0.36169827,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],4,2,6.446793079376221 7184,685,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,PCMORTLOPMLEFB-ONEGZZNKSA-N,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+",COc1cc(/C=C/C(=O)O)cc(OC)c1O,C11H12O5,pos_2MHCH3CN,224.068473484,PCMORTLOPMLEFB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 7185,685,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,PCMORTLOPMLEFB-ONEGZZNKSA-N,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+",COc1cc(/C=C/C(=O)O)cc(OC)c1O,C11H12O5,pos_2MHCH3CN,224.068473484,PCMORTLOPMLEFB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 7186,681,222,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.33034143,ISDB,WGVKWNUPNGFDFJ-DQCZWYHMSA-N,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1",Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2,C28H48O2,,416.3654307759999,WGVKWNUPNGFDFJ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,10.821365714073181 7187,679,-1,,,,0.4019674,ISDB,,,,,,,DBELLPBYTZDJHZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6078696250915527 7188,678,2,Fatty acids,Fatty amides,Fatty aldehydes,0.33834493,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,2,6.353379726409912 7189,678,2,Fatty acids,Fatty amides,Fatty aldehydes,0.33834493,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,2,6.353379726409912 7190,678,2,Fatty acids,Fatty amides,Fatty aldehydes,0.33834493,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,2,6.353379726409912 7191,678,2,Fatty acids,Fatty amides,Fatty aldehydes,0.33834493,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,2,6.353379726409912 7192,678,2,Fatty acids,Fatty amides,Fatty aldehydes,0.33834493,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper guineense,233005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper guineense'],4,2,6.353379726409912 7193,678,2,Fatty acids,Fatty amides,Fatty aldehydes,0.33834493,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],4,2,6.353379726409912 7194,677,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,AFZMICRBFKZNIH-UHFFFAOYSA-N,"InChI=1S/C9H18O3/c10-8-6-4-2-1-3-5-7-9(11)12/h10H,1-8H2,(H,11,12)",O=C(O)CCCCCCCCO,C9H18O3,pos_1_1proton1acetonitrile,174.125594436,AFZMICRBFKZNIH,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 7195,676,-1,,,,0.0,MS1_match,GOZCEKPKECLKNO-UHFFFAOYSA-N,"InChI=1S/C14H18O7/c1-7(16)8-2-4-9(5-3-8)20-14-13(19)12(18)11(17)10(6-15)21-14/h2-5,10-15,17-19H,6H2,1H3",CC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,C14H18O7,pos_2MK,298.105252916,GOZCEKPKECLKNO,,,,Vauquelinia,1023054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Vauquelinia'],['Unknown'],7,0,7.0 7196,676,-1,,,,0.0,MS1_match,GOZCEKPKECLKNO-RKQHYHRCSA-N,"InChI=1S/C14H18O7/c1-7(16)8-2-4-9(5-3-8)20-14-13(19)12(18)11(17)10(6-15)21-14/h2-5,10-15,17-19H,6H2,1H3/t10-,11-,12+,13-,14-/m1/s1",CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C14H18O7,pos_2MK,298.105252916,GOZCEKPKECLKNO,,,,Vauquelinia corymbosa,1085086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Vauquelinia'],['Vauquelinia corymbosa'],7,0,7.0 7197,676,-1,,,,0.0,MS1_match,WTTHPSZUSQNYFG-UWVGGRQHSA-N,"InChI=1S/C14H18O7/c1-6-4-8(7(2)15)13(18)11(12(6)17)9(16)5-10(21-3)14(19)20/h4,9-10,16-18H,5H2,1-3H3,(H,19,20)/t9-,10-/m0/s1",CO[C@@H](C[C@H](O)c1c(O)c(C)cc(C(C)=O)c1O)C(=O)O,C14H18O7,pos_2MK,298.105252916,WTTHPSZUSQNYFG,Polyketides,,,Sorbus globosa,3903414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus globosa'],7,0,7.0 7198,672,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton1ammonium,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 7199,671,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OPGYGNEESA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7200,671,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7201,671,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7202,671,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7203,671,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7204,671,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 7205,671,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 7206,671,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7207,671,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7208,671,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 7209,671,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 7210,671,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OPGYGNEESA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7211,671,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7212,671,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7213,671,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7214,671,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 7215,671,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 7216,671,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7217,671,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 7218,671,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7219,671,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7220,671,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 7221,669,-1,,,,0.0,MS1_match,CNNRPFQICPFDPO-UHFFFAOYSA-N,"InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,C28H58O,pos_1_1proton1acetonitrile,410.448766476,CNNRPFQICPFDPO,Fatty acids,Fatty acyls,Fatty alcohols,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 7222,668,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,VSUOKLTVXQRUSG-UHFFFAOYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)",O=C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O,C21H18O12,pos_1_1proton,462.079826016,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],7,1,7.5 7223,668,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,1,7.5 7224,668,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,FNTJVYCFNVUBOL-UHFFFAOYSA-N,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)",O=C(O)C1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H18O12,pos_1_1proton,462.079826016,FNTJVYCFNVUBOL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,1,7.5 7225,668,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,VSUOKLTVXQRUSG-UHFFFAOYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)",O=C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O,C21H18O12,pos_1_1proton,462.079826016,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],7,1,7.5 7226,668,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,1,7.5 7227,668,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,FNTJVYCFNVUBOL-UHFFFAOYSA-N,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)",O=C(O)C1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H18O12,pos_1_1proton,462.079826016,FNTJVYCFNVUBOL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,1,7.5 7228,666,42,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.4728756,ISDB,IKXFGEKULKZDCJ-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8(6)9(15)5-3-7(14)12(17)18-11(5)10(4)16/h3,14-16H,1-2H2",O=C1CCc2c1c(O)c1cc(O)c(=O)oc1c2O,C12H8O6,,248.032087976,IKXFGEKULKZDCJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,3,9.391502380371094 7229,664,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 7230,664,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 7231,664,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 7232,664,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 7233,664,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 7234,664,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 7235,662,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1sodium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 7236,662,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1sodium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 7237,662,-1,,,,0.0,MS1_match,RSDDHGSKLOSQFK-UHFFFAOYSA-N,"InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3",CC(C)=CCCC(C)=CCOc1ccc2ccc(=O)oc2c1,C19H22O3,pos_1_minus1proton1iron,298.156894564,RSDDHGSKLOSQFK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 7238,658,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1methanol,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7239,655,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1ethylamine,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 7240,655,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1ethylamine,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 7241,652,64,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton1ethylamine,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7242,652,64,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton1ethylamine,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7243,651,-1,,,,0.0,MS1_match,NQSVMEYOIVETBP-FQMUDZMSSA-N,"InChI=1S/C27H28O16/c1-8-15(31)17(33)20(36)26(39-8)43-24-19(35)18(34)23(25(37)38)42-27(24)41-22-16(32)14-12(30)6-11(29)7-13(14)40-21(22)9-2-4-10(28)5-3-9/h2-8,15,17-20,23-24,26-31,33-36H,1H3,(H,37,38)/t8-,15-,17+,18-,19-,20+,23-,24+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H28O16,pos_1_1proton1ammonium,608.137734816,NQSVMEYOIVETBP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alchemilla speciosa,3904373.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Alchemilla'],['Alchemilla speciosa'],6,0,6.0 7244,647,-1,,,,0.0,MS1_match,UBWUZHMCADSLDT-SOHRVHQUSA-N,"InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C21H36O8,pos_1_1sodium,416.241018112,UBWUZHMCADSLDT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 7245,646,651,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PNEKVLUOGHZVKV-YRRKUQMFSA-N,"InChI=1S/C26H28O14/c1-9(28)22-19(33)21(35)26(39-22)40-24-18(32)16-13(30)6-11(29)7-14(16)37-23(24)10-2-4-12(5-3-10)36-25-20(34)17(31)15(8-27)38-25/h2-7,9,15,17,19-22,25-31,33-35H,8H2,1H3/t9-,15-,17-,19-,20+,21+,22-,25+,26-/m0/s1",C[C@H](O)[C@@H]1O[C@@H](Oc2c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1O,C26H28O14,pos_2_2sodium,564.147905576,PNEKVLUOGHZVKV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 7246,645,2,Fatty acids,Fatty amides,Fatty aldehydes,0.79439634,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,2,8.177585363388062 7247,643,-1,,,,0.0,MS1_match,BRWKQWFEHBAUSN-MSOLQXFVSA-N,"InChI=1S/C18H20O7/c1-23-15-8-12(4-5-13(15)21)18(22)17(10-20)25-14-6-3-11(9-19)7-16(14)24-2/h3-9,17-18,20-22H,10H2,1-2H3/t17-,18+/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2ccc(C=O)cc2OC)ccc1O,C18H20O7,pos_1_1sodium,348.12090298,BRWKQWFEHBAUSN,Shikimates and Phenylpropanoids,Lignans,Neolignans,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 7248,642,-1,,,,0.0,MS1_match,FYGDTMLNYKFZSV-UHFFFAOYSA-N,"InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2",OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C18H32O16,pos_1_1potassium,504.16903494399975,FYGDTMLNYKFZSV,Carbohydrates,Saccharides,Disaccharides,Agrimonia eupatoria,852855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia eupatoria'],6,0,6.0 7249,642,-1,,,,0.0,MS1_match,FYGDTMLNYKFZSV-UHFFFAOYSA-N,"InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2",OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C18H32O16,pos_1_1potassium,504.16903494399975,FYGDTMLNYKFZSV,Carbohydrates,Saccharides,Disaccharides,Agrimonia eupatoria,852855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia eupatoria'],6,0,6.0 7250,642,-1,,,,0.0,MS1_match,FYGDTMLNYKFZSV-UHFFFAOYSA-N,"InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2",OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C18H32O16,pos_1_1potassium,504.16903494399975,FYGDTMLNYKFZSV,Carbohydrates,Saccharides,Disaccharides,Agrimonia eupatoria,852855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia eupatoria'],6,0,6.0 7251,639,-1,,,,0.0,MS1_match,ZQRNNAMGDDNHND-OYQCXUJZSA-N,"InChI=1S/C21H24O10/c22-8-17-18(26)19(27)20(28)21(31-17)30-16-7-10(23)6-15-11(16)2-4-14(29-15)9-1-3-12(24)13(25)5-9/h1,3,5-7,14,17-28H,2,4,8H2/t14-,17+,18+,19-,20+,21+/m0/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc3c2CC[C@@H](c2ccc(O)c(O)c2)O3)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O10,pos_1_1proton1ethylamine,436.136946968,ZQRNNAMGDDNHND,Shikimates and Phenylpropanoids,Flavonoids,Flavans,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7252,639,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-UHFFFAOYSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O,C21H24O10,pos_1_1proton1ethylamine,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7253,639,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-UHFFFAOYSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O,C21H24O10,pos_1_1proton1ethylamine,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7254,639,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-UHFFFAOYSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O,C21H24O10,pos_1_1proton1ethylamine,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7255,638,-1,,,,0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1sodium,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 7256,638,-1,,,,0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1sodium,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 7257,635,-1,,,,0.0,MS1_match,RUVINXPYWBROJD-ONEGZZNKSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+",C/C=C/c1ccc(OC)cc1,C10H12O,pos_1_1proton1methanol,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,8.0 7258,633,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7259,627,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7260,627,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7261,627,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7262,627,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7263,625,281,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,RZLBDMQWYCAIEA-QDWIBDRMSA-N,"InChI=1S/C22H28O7/c1-25-11-5-6-15-7-10-18(20(12-15)27-3)29-21(14-23)22(28-4)16-8-9-17(24)19(13-16)26-2/h5-10,12-13,21-24H,11,14H2,1-4H3/b6-5+/t21-,22-/m1/s1",COC/C=C/c1ccc(O[C@H](CO)[C@H](OC)c2ccc(O)c(OC)c2)c(OC)c1,C22H28O7,pos_1_1sodium,404.1835032359999,RZLBDMQWYCAIEA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 7264,625,281,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,RZLBDMQWYCAIEA-QDWIBDRMSA-N,"InChI=1S/C22H28O7/c1-25-11-5-6-15-7-10-18(20(12-15)27-3)29-21(14-23)22(28-4)16-8-9-17(24)19(13-16)26-2/h5-10,12-13,21-24H,11,14H2,1-4H3/b6-5+/t21-,22-/m1/s1",COC/C=C/c1ccc(O[C@H](CO)[C@H](OC)c2ccc(O)c(OC)c2)c(OC)c1,C22H28O7,pos_1_1sodium,404.1835032359999,RZLBDMQWYCAIEA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 7265,624,-1,,,,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_1_1sodium,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 7266,624,-1,,,,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_1_1sodium,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7267,624,-1,,,,0.0,MS1_match,SOVOSNMYOLGARG-QETNVOEASA-N,"InChI=1S/C27H30O15/c1-9-17(30)20(33)23(36)26(39-9)38-8-15-18(31)21(34)24(37)27(42-15)40-12-6-13(29)16-14(7-12)41-25(22(35)19(16)32)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-21,23-24,26-31,33-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1sodium,594.15847026,SOVOSNMYOLGARG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 7268,624,-1,,,,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1sodium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7269,624,-1,,,,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_1_1sodium,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 7270,624,-1,,,,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1sodium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 7271,624,-1,,,,0.0,MS1_match,RTATXGUCZHCSNG-ZFDPGQBLSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15-,17-,18+,20-,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H30O15,pos_1_1sodium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7272,624,-1,,,,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1sodium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 7273,624,-1,,,,0.0,MS1_match,ZEJXENDZTYVXDP-CSJHBIPPSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1sodium,594.1584702600001,ZEJXENDZTYVXDP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7274,624,-1,,,,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_1_1sodium,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7275,624,-1,,,,0.0,MS1_match,ZEJXENDZTYVXDP-CSJHBIPPSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1sodium,594.1584702600001,ZEJXENDZTYVXDP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7276,624,-1,,,,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_1_1sodium,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7277,624,-1,,,,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1sodium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 7278,622,-1,,,,0.0,MS1_match,DIXPDWXERFUNQD-CIQGJBQPSA-N,"InChI=1S/C32H50O6/c1-18-9-14-32(27(34)35)16-15-30(7)21(25(32)19(18)2)17-22(38-36)26-29(6)12-11-24(37-20(3)33)28(4,5)23(29)10-13-31(26,30)8/h17-19,22-26,36H,9-16H2,1-8H3,(H,34,35)/t18-,19+,22-,23-,24+,25-,26-,29+,30-,31-,32+/m1/s1",CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H](OO)C=C2[C@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C,C32H50O6,pos_1_minus1proton1iron,530.36073932,DIXPDWXERFUNQD,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],7,0,7.0 7279,622,-1,,,,0.0,MS1_match,NRQWOYJXRZMQPN-JTFSFCSYSA-N,"InChI=1S/C32H50O6/c1-27(2)13-15-32(26(36)38-8)16-14-29(4)19(20(32)17-27)9-10-22-28(3)18-21(33)24(34)31(6,25(35)37-7)23(28)11-12-30(22,29)5/h9,20-24,33-34H,10-18H2,1-8H3/t20-,21+,22+,23+,24-,28+,29+,30+,31+,32-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)OC)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C32H50O6,pos_1_minus1proton1iron,530.3607393199999,NRQWOYJXRZMQPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 7280,622,-1,,,,0.0,MS1_match,NRQWOYJXRZMQPN-JTFSFCSYSA-N,"InChI=1S/C32H50O6/c1-27(2)13-15-32(26(36)38-8)16-14-29(4)19(20(32)17-27)9-10-22-28(3)18-21(33)24(34)31(6,25(35)37-7)23(28)11-12-30(22,29)5/h9,20-24,33-34H,10-18H2,1-8H3/t20-,21+,22+,23+,24-,28+,29+,30+,31+,32-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)OC)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C32H50O6,pos_1_minus1proton1iron,530.3607393199999,NRQWOYJXRZMQPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 7281,619,599,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1proton1ethylamine,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 7282,614,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton1ethylamine,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7283,607,751,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 7284,607,751,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 7285,607,751,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 7286,607,751,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 7287,607,751,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 7288,607,751,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 7289,607,751,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 7290,607,751,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 7291,607,751,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 7292,607,751,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 7293,607,751,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 7294,607,751,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 7295,606,-1,,,,0.0,MS1_match,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,pos_1_minus1proton2sodium,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7296,606,-1,,,,0.0,MS1_match,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,pos_1_minus1proton2sodium,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7297,605,340,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ZHBHZDMTVVJASV-JOSVURMMSA-N,"InChI=1S/C17H22N2O7/c18-10(17(24)25)5-8-6-19(11-4-2-1-3-9(8)11)16-15(23)14(22)13(21)12(7-20)26-16/h1-4,6,10,12-16,20-23H,5,7,18H2,(H,24,25)/t10-,12+,13+,14-,15+,16+/m0/s1",N[C@@H](Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12)C(=O)O,C17H22N2O7,pos_2_1calcium,366.142701044,ZHBHZDMTVVJASV,Amino acids and Peptides,Small peptides,Aminoacids,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,3,7.5 7298,605,340,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ZHBHZDMTVVJASV-JOSVURMMSA-N,"InChI=1S/C17H22N2O7/c18-10(17(24)25)5-8-6-19(11-4-2-1-3-9(8)11)16-15(23)14(22)13(21)12(7-20)26-16/h1-4,6,10,12-16,20-23H,5,7,18H2,(H,24,25)/t10-,12+,13+,14-,15+,16+/m0/s1",N[C@@H](Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12)C(=O)O,C17H22N2O7,pos_2_1calcium,366.142701044,ZHBHZDMTVVJASV,Amino acids and Peptides,Small peptides,Aminoacids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,3,7.5 7299,605,340,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ZHBHZDMTVVJASV-JOSVURMMSA-N,"InChI=1S/C17H22N2O7/c18-10(17(24)25)5-8-6-19(11-4-2-1-3-9(8)11)16-15(23)14(22)13(21)12(7-20)26-16/h1-4,6,10,12-16,20-23H,5,7,18H2,(H,24,25)/t10-,12+,13+,14-,15+,16+/m0/s1",N[C@@H](Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12)C(=O)O,C17H22N2O7,pos_2_1calcium,366.142701044,ZHBHZDMTVVJASV,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 7300,605,340,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ZHBHZDMTVVJASV-JOSVURMMSA-N,"InChI=1S/C17H22N2O7/c18-10(17(24)25)5-8-6-19(11-4-2-1-3-9(8)11)16-15(23)14(22)13(21)12(7-20)26-16/h1-4,6,10,12-16,20-23H,5,7,18H2,(H,24,25)/t10-,12+,13+,14-,15+,16+/m0/s1",N[C@@H](Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12)C(=O)O,C17H22N2O7,pos_2_1calcium,366.142701044,ZHBHZDMTVVJASV,Amino acids and Peptides,Small peptides,Aminoacids,Rubus idaeus,156929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus idaeus'],6,3,7.5 7301,605,340,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ZHBHZDMTVVJASV-JOSVURMMSA-N,"InChI=1S/C17H22N2O7/c18-10(17(24)25)5-8-6-19(11-4-2-1-3-9(8)11)16-15(23)14(22)13(21)12(7-20)26-16/h1-4,6,10,12-16,20-23H,5,7,18H2,(H,24,25)/t10-,12+,13+,14-,15+,16+/m0/s1",N[C@@H](Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12)C(=O)O,C17H22N2O7,pos_2_1calcium,366.142701044,ZHBHZDMTVVJASV,Amino acids and Peptides,Small peptides,Aminoacids,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,3,7.5 7302,604,347,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YZDQDCHESVQFNC-PQBXVMOBSA-N,"InChI=1S/C39H54O6/c1-23-12-17-39(34(43)44)19-18-37(6)28(33(39)24(23)2)9-10-30-36(5)15-14-31(35(3,4)29(36)13-16-38(30,37)7)45-32(42)11-8-25-20-26(40)22-27(41)21-25/h8-9,11,20-24,29-31,33,40-41H,10,12-19H2,1-7H3,(H,43,44)/b11-8+/t23-,24+,29+,30-,31+,33+,36+,37-,38-,39+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6cc(O)cc(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C39H54O6,pos_3_3proton,618.392039448,YZDQDCHESVQFNC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Chaenomeles japonica,852470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles japonica'],6,3,7.5 7303,603,-1,,,,0.0,MS1_match,DPEYEJOFAHQWJI-UHFFFAOYSA-N,"InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h5-7,13H,3-4H2,1-2H3",COc1cc(CCC=O)cc(OC)c1O,C11H14O4,pos_2MHNH3,210.089208928,DPEYEJOFAHQWJI,Alkaloids,,,Sorbus aucuparia,217673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aucuparia'],7,0,7.0 7304,603,-1,,,,0.0,MS1_match,LIEIOJNANXUNDT-UHFFFAOYSA-N,"InChI=1S/C21H27NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,11,13,17H,1,8-10,12H2,2-5H3",C=CC1=CC(C)C(C)(OC(C)=O)C(=O)OCC2=CCN(C)CCC(OC1=O)C2=O,C21H27NO7,pos_1_1proton1methanol,405.178752204,LIEIOJNANXUNDT,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 7305,603,-1,,,,0.0,MS1_match,LIEIOJNANXUNDT-WIOQBUNOSA-N,"InChI=1S/C21H27NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,11,13,17H,1,8-10,12H2,2-5H3/b15-11-,16-7-/t13-,17-,21+/m1/s1",C=C/C1=C/[C@@H](C)[C@](C)(OC(C)=O)C(=O)OC/C2=C/CN(C)CC[C@@H](OC1=O)C2=O,C21H27NO7,pos_1_1proton1methanol,405.178752204,LIEIOJNANXUNDT,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 7306,603,-1,,,,0.0,MS1_match,LIEIOJNANXUNDT-WIOQBUNOSA-N,"InChI=1S/C21H27NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,11,13,17H,1,8-10,12H2,2-5H3/b15-11-,16-7-/t13-,17-,21+/m1/s1",C=C/C1=C/[C@@H](C)[C@](C)(OC(C)=O)C(=O)OC/C2=C/CN(C)CC[C@@H](OC1=O)C2=O,C21H27NO7,pos_1_1proton1methanol,405.178752204,LIEIOJNANXUNDT,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],7,0,7.0 7307,602,-1,,,,0.0,MS1_match,GUBGYTABKSRVRQ-ASMJPISFSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 7308,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],6,0,6.0 7309,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 7310,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],6,0,6.0 7311,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,0,6.0 7312,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,0,6.0 7313,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 7314,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 7315,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 7316,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],6,0,6.0 7317,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 7318,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],6,0,6.0 7319,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 7320,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],6,0,6.0 7321,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,0,6.0 7322,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,0,6.0 7323,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 7324,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 7325,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 7326,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],6,0,6.0 7327,602,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 7328,602,-1,,,,0.0,MS1_match,GUBGYTABKSRVRQ-WFVLMXAXSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,C12H22O11,pos_1_1proton1ethylamine,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,0,6.0 7329,602,-1,,,,0.0,MS1_match,GUBGYTABKSRVRQ-ASMJPISFSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 7330,602,-1,,,,0.0,MS1_match,GUBGYTABKSRVRQ-WFVLMXAXSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,C12H22O11,pos_1_1proton1ethylamine,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,0,6.0 7331,602,-1,,,,0.0,MS1_match,HIWPGCMGAMJNRG-CQHUIXDMSA-N,"InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,HIWPGCMGAMJNRG,Carbohydrates,Saccharides,Disaccharides,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 7332,602,-1,,,,0.0,MS1_match,HIWPGCMGAMJNRG-CQHUIXDMSA-N,"InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton1ethylamine,342.116211524,HIWPGCMGAMJNRG,Carbohydrates,Saccharides,Disaccharides,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 7333,601,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 7334,601,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 7335,599,761,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VADSVXSGIFBZLI-UHFFFAOYSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3",C=CCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1,C16H22O7,pos_1_1sodium,326.1365530439999,VADSVXSGIFBZLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 7336,597,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.0,MS1_match,NOQYJICHFNSIFZ-DIACKHNESA-N,"InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3/t9-,10-,11+,12-,14+/m1/s1",COc1cc(O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H20O9,pos_1_1sodium,332.11073221999993,NOQYJICHFNSIFZ,,,,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 7337,597,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.0,MS1_match,NOQYJICHFNSIFZ-DIACKHNESA-N,"InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3/t9-,10-,11+,12-,14+/m1/s1",COc1cc(O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H20O9,pos_1_1sodium,332.11073221999993,NOQYJICHFNSIFZ,,,,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 7338,596,340,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ODHCTXKNWHHXJC-GSVOUGTGSA-N,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1",O=C1CC[C@H](C(=O)O)N1,C5H7NO3,pos_1_1proton1ethylamine,129.042593084,ODHCTXKNWHHXJC,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 7339,595,697,Amino acids and Peptides,Small peptides,Aminoacids,0.8517125,ISDB,OUYCCCASQSFEME-QMMMGPOBSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",N[C@@H](Cc1ccc(O)cc1)C(=O)O,C9H11NO3,,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,12.906850099563599 7340,590,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,OALYTRUKMRCXNH-QMMMGPOBSA-N,"InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3/t8-/m0/s1",CCCCC[C@H]1CCC(=O)O1,C9H16O2,pos_1_1proton1acetonitrile,156.115029752,OALYTRUKMRCXNH,Fatty acids,Fatty esters,Lactones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 7341,587,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 7342,587,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 7343,587,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 7344,587,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 7345,587,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 7346,587,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 7347,585,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.7977881,ISDB,ZCCLDKGWJIREQF-PDBXOOCHSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,C21H36O4,,352.261359632,ZCCLDKGWJIREQF,Fatty acids,Glycerolipids,Monoacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,2,8.191152334213257 7348,583,92,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1sodium,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,8.5 7349,583,92,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1sodium,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 7350,581,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 7351,581,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 7352,581,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 7353,581,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 7354,581,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 7355,581,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,pos_1_1proton,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 7356,581,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 7357,581,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,pos_1_1proton,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 7358,581,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,pos_1_1proton,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 7359,581,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OCNYGKNIVPVPPX-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+",COC(=O)/C=C/c1ccc(O)c(O)c1,C10H10O4,pos_1_1proton,194.0579088,OCNYGKNIVPVPPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 7360,581,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 7361,577,-1,,,,0.0,MS1_match,SFKYGNQGJSKDTB-VOFPXKNKSA-N,"InChI=1S/C22H22O9/c1-28-12-7-15-18(13(24)9-14(29-15)11-5-3-2-4-6-11)16(8-12)30-22-21(27)20(26)19(25)17(10-23)31-22/h2-9,17,19-23,25-27H,10H2,1H3/t17-,19-,20+,21-,22+/m1/s1",COc1cc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccccc3)oc2c1,C22H22O9,pos_1_minus1proton2sodium,430.126382284,SFKYGNQGJSKDTB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,0,6.0 7362,576,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1sodium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 7363,576,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1sodium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 7364,576,-1,,,,0.0,MS1_match,RSDDHGSKLOSQFK-UHFFFAOYSA-N,"InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3",CC(C)=CCCC(C)=CCOc1ccc2ccc(=O)oc2c1,C19H22O3,pos_1_minus1proton1iron,298.156894564,RSDDHGSKLOSQFK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 7365,575,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 7366,575,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 7367,575,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 7368,575,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 7369,575,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 7370,575,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 7371,575,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7372,575,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 7373,575,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 7374,575,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 7375,575,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 7376,575,-1,,,,0.0,MS1_match,KEIZXGINFPDITQ-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C28H32O16,pos_1_1proton,624.1690349439999,KEIZXGINFPDITQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 7377,575,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 7378,575,-1,,,,0.0,MS1_match,KEIZXGINFPDITQ-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C28H32O16,pos_1_1proton,624.1690349439999,KEIZXGINFPDITQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 7379,575,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7380,575,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7381,575,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 7382,572,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.32131052,ISDB,DVGGLGXQSFURLP-UHFFFAOYSA-N,"InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2",O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C30H26O13,,594.137340892,DVGGLGXQSFURLP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,1,9.785242080688477 7383,572,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.32131052,ISDB,DVGGLGXQSFURLP-DZQBGBETSA-N,"InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27?,30-/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)[C@@H](O)[C@@H]1O,C30H26O13,,594.137340892,DVGGLGXQSFURLP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla chinensis,493031.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla chinensis'],8,1,9.785242080688477 7384,571,95,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Phenylethanoids,0.0,MS1_match,PQQITYGQJLPDFC-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O8,pos_1_1proton1acetonitrile,316.1158176,PQQITYGQJLPDFC,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 7385,570,-1,,,,0.20678523,ISDB,JQSLJBXSPJMQQS-ADQTWBQPSA-N,"InChI=1S/C40H52O2/c1-30(2)17-13-20-33(5)23-15-25-34(6)24-14-21-31(3)18-11-12-19-32(4)22-16-26-35(7)27-28-37-36(8)39(42)38(41)29-40(37,9)10/h11-28,38,41H,29H2,1-10H3/b12-11+,20-13-,21-14+,22-16+,25-15+,28-27+,31-18+,32-19+,33-23+,34-24+,35-26+/t38-/m0/s1",CC(C)=C/C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C,C40H52O2,,564.396730904,JQSLJBXSPJMQQS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Xanthophyllomyces dendrorhous,558971.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Tremellomycetes'],['Cystofilobasidiales'],['Mrakiaceae'],['Unknown'],['Xanthophyllomyces'],['Xanthophyllomyces dendrorhous'],1,0,1.8271409273147583 7386,570,-1,,,,0.20678523,ISDB,JQSLJBXSPJMQQS-ADQTWBQPSA-N,"InChI=1S/C40H52O2/c1-30(2)17-13-20-33(5)23-15-25-34(6)24-14-21-31(3)18-11-12-19-32(4)22-16-26-35(7)27-28-37-36(8)39(42)38(41)29-40(37,9)10/h11-28,38,41H,29H2,1-10H3/b12-11+,20-13-,21-14+,22-16+,25-15+,28-27+,31-18+,32-19+,33-23+,34-24+,35-26+/t38-/m0/s1",CC(C)=C/C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C,C40H52O2,,564.396730904,JQSLJBXSPJMQQS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Phaffia rhodozyma,5436508.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Tremellomycetes'],['Cystofilobasidiales'],['Mrakiaceae'],['Unknown'],['Phaffia'],['Phaffia rhodozyma'],1,0,1.8271409273147583 7387,569,-1,,,,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1sodium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 7388,569,-1,,,,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1sodium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7389,569,-1,,,,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1sodium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7390,568,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IFYYFLINQYPWGJ-UHFFFAOYSA-N,"InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3",CCCCCCC1CCC(=O)O1,C10H18O2,pos_1_1proton1ethylamine,170.130679816,IFYYFLINQYPWGJ,Fatty acids,Fatty esters,Lactones,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 7391,568,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NSMIMJYEKVSYMT-OLKPEBQYSA-N,"InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6+/t10-/m1/s1",C=C[C@@](C)(O)CC/C=C(\C)CO,C10H18O2,pos_1_1proton1ethylamine,170.130679816,NSMIMJYEKVSYMT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 7392,568,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NSMIMJYEKVSYMT-OLKPEBQYSA-N,"InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6+/t10-/m1/s1",C=C[C@@](C)(O)CC/C=C(\C)CO,C10H18O2,pos_1_1proton1ethylamine,170.130679816,NSMIMJYEKVSYMT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 7393,568,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JOZKFWLRHCDGJA-UHFFFAOYSA-N,"InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3",CC(=O)OCCC(C)CCC=C(C)C,C12H22O2,pos_1_1proton1ammonium,198.161979944,JOZKFWLRHCDGJA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa centifolia,383285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa roxburghii'],6,0,6.0 7394,568,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JOZKFWLRHCDGJA-UHFFFAOYSA-N,"InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3",CC(=O)OCCC(C)CCC=C(C)C,C12H22O2,pos_1_1proton1ammonium,198.161979944,JOZKFWLRHCDGJA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 7395,568,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JOZKFWLRHCDGJA-UHFFFAOYSA-N,"InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3",CC(=O)OCCC(C)CCC=C(C)C,C12H22O2,pos_1_1proton1ammonium,198.161979944,JOZKFWLRHCDGJA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 7396,568,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JOZKFWLRHCDGJA-UHFFFAOYSA-N,"InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3",CC(=O)OCCC(C)CCC=C(C)C,C12H22O2,pos_1_1proton1ammonium,198.161979944,JOZKFWLRHCDGJA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 7397,568,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WGPCZPLRVAWXPW-UHFFFAOYSA-N,"InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3",CCCCCCCCC1CCC(=O)O1,C12H22O2,pos_1_1proton1ammonium,198.161979944,WGPCZPLRVAWXPW,Fatty acids,Fatty esters,Lactones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 7398,566,-1,,,,0.0,MS1_match,LHSSNRACHZBMIY-JPEWKLRBSA-N,"InChI=1S/C34H52O6/c1-19-12-15-34(29(37)38)17-16-32(8)23(27(34)20(19)2)10-11-26-31(7)18-24(39-21(3)35)28(40-22(4)36)30(5,6)25(31)13-14-33(26,32)9/h10,19-20,24-28H,11-18H2,1-9H3,(H,37,38)/t19-,20+,24-,25+,26-,27+,28+,31+,32-,33-,34+/m1/s1",CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)[C@H]1OC(C)=O,C34H52O6,pos_1_1potassium,556.376389384,LHSSNRACHZBMIY,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 7399,564,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.88419425,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,14.036777019500732 7400,562,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,KTGKDWJBRNYLBP-UHFFFAOYSA-N,"InChI=1S/C31H62O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(2)32/h3-30H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)=O,C31H62O,pos_2_1proton1potassium,450.480066604,KTGKDWJBRNYLBP,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Geum elatum,255452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum elatum'],6,0,6.0 7401,562,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,FDAMWNSHPQTDNC-UHFFFAOYSA-N,"InChI=1S/C31H62O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-31(32)29-27-25-10-8-6-4-2/h3-30H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCC,C31H62O,pos_2_1proton1potassium,450.480066604,FDAMWNSHPQTDNC,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 7402,562,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,FDAMWNSHPQTDNC-UHFFFAOYSA-N,"InChI=1S/C31H62O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-31(32)29-27-25-10-8-6-4-2/h3-30H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCC,C31H62O,pos_2_1proton1potassium,450.480066604,FDAMWNSHPQTDNC,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 7403,560,344,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7404,559,143,Fatty acids,Fatty amides,Primary amides,0.6393173,ISDB,AMLDBWWQKYLAHJ-UHFFFAOYSA-N,"InChI=1S/C17H35NO/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-18-17(3)19/h16H,4-15H2,1-3H3,(H,18,19)",CC(=O)NCCCCCCCCCCCCC(C)C,C17H35NO,,269.27186474,AMLDBWWQKYLAHJ,Fatty acids,Fatty amides,N-acyl amines,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,2,7.557269096374512 7405,557,-1,,,,0.0,MS1_match,AOEGDCIKXAEIGZ-UHFFFAOYSA-N,"InChI=1S/C60H52O26/c61-27-9-1-23(2-10-27)39-40(24-3-11-28(62)12-4-24)44(58(78)80-22-38-46(70)50(74)52(76)60(84-38)86-56-48(72)42-34(68)18-32(66)20-36(42)82-54(56)26-7-15-30(64)16-8-26)43(39)57(77)79-21-37-45(69)49(73)51(75)59(83-37)85-55-47(71)41-33(67)17-31(65)19-35(41)81-53(55)25-5-13-29(63)14-6-25/h1-20,37-40,43-46,49-52,59-70,73-76H,21-22H2",O=C(OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O)C1C(C(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(c2ccc(O)cc2)C1c1ccc(O)cc1,C60H52O26,pos_2_2sodium,1188.274681784,AOEGDCIKXAEIGZ,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 7406,557,-1,,,,0.0,MS1_match,DVGGLGXQSFURLP-DZQBGBETSA-N,"InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27?,30-/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)[C@@H](O)[C@@H]1O,C30H26O13,pos_1_1sodium,594.137340892,DVGGLGXQSFURLP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla chinensis,493031.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla chinensis'],8,0,8.0 7407,557,-1,,,,0.0,MS1_match,DVGGLGXQSFURLP-UHFFFAOYSA-N,"InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2",O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C30H26O13,pos_1_1sodium,594.137340892,DVGGLGXQSFURLP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,0,8.0 7408,556,-1,,,,0.0,MS1_match,UUQHKWMIDYRWHH-UHFFFAOYSA-N,"InChI=1S/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3",COC(=O)c1c(C)cc(O)c(C)c1O,C10H12O4,pos_2MNa,196.073558864,UUQHKWMIDYRWHH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],6,0,6.0 7409,555,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.0,MS1_match,BBOCDRLDMQHWJP-WOUKDFQISA-N,"InChI=1S/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)/t6-,8-,9-,12-/m1/s1",OCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,C12H17N5O5,pos_1_1proton1ethylamine,311.122968644,BBOCDRLDMQHWJP,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 7410,554,432,,,,0.27061066,ISDB,,,,,,,VVBVATXKSUVSTB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0824426412582397 7411,553,143,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,VHOCUJPBKOZGJD-UHFFFAOYSA-N,"InChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C30H60O2,pos_2_2proton2acetonitrile,452.4593311599999,VHOCUJPBKOZGJD,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,1,8.5 7412,552,568,Amino acids and Peptides,Fatty esters,Aminoacids,0.0,MS1_match,WTTJVINHCBCLGX-NQLNTKRDSA-N,"InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC,C19H34O2,pos_2_2sodium,294.255880328,WTTJVINHCBCLGX,Fatty acids,Fatty esters,Wax monoesters,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,2,9.0 7413,550,436,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,pos_1_1proton,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7414,549,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.30459777,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,10.718391060829163 7415,549,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.30459777,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,10.718391060829163 7416,549,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.30459777,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,10.718391060829163 7417,549,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.30459777,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,10.718391060829163 7418,549,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.30459777,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,10.718391060829163 7419,548,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],6,3,7.5 7420,548,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 7421,548,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],6,3,7.5 7422,548,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],6,3,7.5 7423,542,680,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,VKNUORWMCINMRB-UHFFFAOYSA-N,"InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3",CCOC(=O)CC(O)C(=O)OCC,C8H14O5,pos_2MHNH3,190.084123548,VKNUORWMCINMRB,Fatty acids,Fatty esters,Wax monoesters,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,3,7.5 7424,539,-1,,,,0.0,MS1_match,LFTHBCOXDLWYRH-QCDJFAEYSA-N,"InChI=1S/C24H36O15/c25-6-12-14(27)16(29)18(31)21(37-12)39-19-17(30)15(28)13(8-35-23-20(32)24(33,9-26)10-36-23)38-22(19)34-7-11-4-2-1-3-5-11/h1-5,12-23,25-33H,6-10H2/t12-,13-,14-,15-,16+,17+,18-,19-,20+,21+,22-,23-,24-/m1/s1",OC[C@H]1O[C@@H](O[C@H]2[C@H](OCc3ccccc3)O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C24H36O15,pos_1_1proton1ethylamine,564.205420452,LFTHBCOXDLWYRH,,,,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,0,7.0 7425,539,-1,,,,0.0,MS1_match,LFTHBCOXDLWYRH-QCDJFAEYSA-N,"InChI=1S/C24H36O15/c25-6-12-14(27)16(29)18(31)21(37-12)39-19-17(30)15(28)13(8-35-23-20(32)24(33,9-26)10-36-23)38-22(19)34-7-11-4-2-1-3-5-11/h1-5,12-23,25-33H,6-10H2/t12-,13-,14-,15-,16+,17+,18-,19-,20+,21+,22-,23-,24-/m1/s1",OC[C@H]1O[C@@H](O[C@H]2[C@H](OCc3ccccc3)O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C24H36O15,pos_1_1proton1ethylamine,564.205420452,LFTHBCOXDLWYRH,,,,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],7,0,7.0 7426,537,521,Shikimates and Phenylpropanoids,Sesquiterpenoids,Isocoumarins,0.49894997,ISDB,ZCPYJMSBMMBYSS-LLVKDONJSA-N,"InChI=1S/C14H18O4/c1-2-3-4-5-11-7-9-6-10(15)8-12(16)13(9)14(17)18-11/h6,8,11,15-16H,2-5,7H2,1H3/t11-/m1/s1",CCCCC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1,C14H18O4,,250.120509056,ZCPYJMSBMMBYSS,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Penicillium simplicissimum,968742.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium simplicissimum'],0,3,3.4957998991012573 7427,536,143,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,DTGKSKDOIYIVQL-HHCGNCNQSA-N,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10?/m1/s1",CC1(C)[C@@H]2CCC1(C)[C@@H](O)C2,C10H18O,pos_1_1proton1ethylamine,154.135765196,DTGKSKDOIYIVQL,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7428,536,143,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,CDOSHBSSFJOMGT-UHFFFAOYSA-N,"InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3",C=CC(C)(O)CCC=C(C)C,C10H18O,pos_1_1proton1ethylamine,154.135765196,CDOSHBSSFJOMGT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7429,536,143,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,GLZPCOQZEFWAFX-JXMROGBWSA-N,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+",CC(C)=CCC/C(C)=C/CO,C10H18O,pos_1_1proton1ethylamine,154.135765196,GLZPCOQZEFWAFX,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7430,535,273,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7431,535,273,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 7432,535,273,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 7433,535,273,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 7434,535,273,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7435,534,241,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.306462,ISDB,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,11.225847959518433 7436,533,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.53896946,ISDB,,,,,,,RFTWGTNWFRSBHI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1558778285980225 7437,532,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,XRHHDQSPFPQKMS-UHFFFAOYSA-N,"InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)11-7-10(20)13-14(21)17(24-2)15(22)18(25-3)16(13)26-11/h4-7,19,21-22H,1-3H3",COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)ccc1O,C18H16O8,pos_1_1proton1isopropanol,360.0845174719999,XRHHDQSPFPQKMS,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Sorbus pallescens,3903574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus pallescens'],7,3,8.5 7438,530,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 7439,530,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 7440,530,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 7441,530,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 7442,530,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 7443,530,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 7444,530,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 7445,530,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 7446,530,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 7447,529,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DKTDHUGOEJFFSN-PJIJBLCYSA-N,"InChI=1S/C25H22O8/c26-17-3-1-11(5-21(17)30)13-7-16-15(8-19(13)28)20(29)10-23-25(16)14(9-24(32)33-23)12-2-4-18(27)22(31)6-12/h1-6,10,13-14,19,26-31H,7-9H2/t13-,14-,19-/m1/s1",O=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2C[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1,C25H22O8,pos_1_1proton,450.13146766399984,DKTDHUGOEJFFSN,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,1,7.5 7448,529,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DKTDHUGOEJFFSN-PJIJBLCYSA-N,"InChI=1S/C25H22O8/c26-17-3-1-11(5-21(17)30)13-7-16-15(8-19(13)28)20(29)10-23-25(16)14(9-24(32)33-23)12-2-4-18(27)22(31)6-12/h1-6,10,13-14,19,26-31H,7-9H2/t13-,14-,19-/m1/s1",O=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2C[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1,C25H22O8,pos_1_1proton,450.13146766399984,DKTDHUGOEJFFSN,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,1,7.5 7449,528,366,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,0.0,MS1_match,MGUZEJUQIKUKHQ-NPUIBITLSA-N,"InChI=1S/C28H40O12/c1-14-23(30)26(33)27(34)28(40-14)39-13-18(7-16-10-21(37-4)25(32)22(11-16)38-5)17(12-29)6-15-8-19(35-2)24(31)20(9-15)36-3/h8-11,14,17-18,23,26-34H,6-7,12-13H2,1-5H3/t14-,17+,18+,23-,26+,27+,28+/m0/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C28H40O12,pos_1_1potassium,568.2519767199999,MGUZEJUQIKUKHQ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 7450,528,366,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,0.0,MS1_match,MGUZEJUQIKUKHQ-NPUIBITLSA-N,"InChI=1S/C28H40O12/c1-14-23(30)26(33)27(34)28(40-14)39-13-18(7-16-10-21(37-4)25(32)22(11-16)38-5)17(12-29)6-15-8-19(35-2)24(31)20(9-15)36-3/h8-11,14,17-18,23,26-34H,6-7,12-13H2,1-5H3/t14-,17+,18+,23-,26+,27+,28+/m0/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C28H40O12,pos_1_1potassium,568.2519767199999,MGUZEJUQIKUKHQ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 7451,525,-1,,,,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1sodium,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7452,525,-1,,,,0.0,MS1_match,GWCPBEMISACTHQ-AWEZNQCLSA-N,"InChI=1S/C15H14O5/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8/h1,3,5-7,14,16-19H,2,4H2/t14-/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)CC2,C15H14O5,pos_1_1sodium,274.084123548,GWCPBEMISACTHQ,Shikimates and Phenylpropanoids,Flavonoids,Flavans,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7453,521,-1,,,,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1proton1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7454,521,-1,,,,0.0,MS1_match,DTOSIQBPPRVQHS-UHFFFAOYSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)",CCC=CCC=CCC=CCCCCCCCC(=O)O,C18H30O2,pos_1_1proton1ammonium,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7455,521,-1,,,,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_1proton1ammonium,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 7456,521,-1,,,,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1proton1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 7457,520,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.38237688,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Otanthus maritimus,195139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Otanthus'],['Otanthus maritimus'],4,1,6.029507517814636 7458,520,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.38237688,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea nana,395148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea nana'],4,1,6.029507517814636 7459,520,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.38237688,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,6.029507517814636 7460,520,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.38237688,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea maritima,869832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea maritima'],4,1,6.029507517814636 7461,520,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.38237688,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea formosa,4416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea formosa'],4,1,6.029507517814636 7462,520,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.38237688,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper formosum,6030745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper formosum'],4,1,6.029507517814636 7463,520,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.38237688,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Leucocyclus formosus,616330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Leucocyclus'],['Leucocyclus formosus'],4,1,6.029507517814636 7464,520,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.38237688,ISDB,RVYUTDKHUFWTFC-UHFFFAOYSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)",CCCCCC=CCCC=CC=CC(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,6.029507517814636 7465,520,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.38237688,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum petiolare,5747734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum petiolare'],4,1,6.029507517814636 7466,519,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IKXFGEKULKZDCJ-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8(6)9(15)5-3-7(14)12(17)18-11(5)10(4)16/h3,14-16H,1-2H2",O=C1CCc2c1c(O)c1cc(O)c(=O)oc1c2O,C12H8O6,pos_1_1proton1isopropanol,248.032087976,IKXFGEKULKZDCJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,1,6.5 7467,518,-1,,,,0.0,MS1_match,TYIKLWYMBUWTIH-DUFZWWRVSA-N,"InChI=1S/C26H42O10/c1-22-6-3-7-23(2,21(32)36-20-19(31)18(30)17(29)14(10-27)35-20)15(22)4-8-24-11-25(33,9-5-16(22)24)26(34,12-24)13-28/h14-20,27-31,33-34H,3-13H2,1-2H3/t14-,15+,16+,17-,18+,19-,20+,22-,23-,24+,25+,26+/m1/s1",C[C@@]12CCC[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]1CC[C@]13C[C@](O)(CO)[C@](O)(CC[C@H]12)C3,C26H42O10,pos_2_1proton1sodium,514.277797544,TYIKLWYMBUWTIH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 7468,515,-1,,,,0.0,MS1_match,MWGNJVCCJCKLGJ-UHFFFAOYSA-N,"InChI=1S/C30H36O10/c1-36-25-11-17(4-7-22(25)33)10-20-16-39-30(21(20)14-31)19-6-9-24(27(13-19)38-3)40-28(15-32)29(35)18-5-8-23(34)26(12-18)37-2/h4-9,11-13,20-21,28-35H,10,14-16H2,1-3H3",COc1cc(CC2COC(c3ccc(OC(CO)C(O)c4ccc(O)c(OC)c4)c(OC)c3)C2CO)ccc1O,C30H36O10,pos_2_1calcium,556.230847352,MWGNJVCCJCKLGJ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 7469,515,-1,,,,0.0,MS1_match,MWGNJVCCJCKLGJ-UHFFFAOYSA-N,"InChI=1S/C30H36O10/c1-36-25-11-17(4-7-22(25)33)10-20-16-39-30(21(20)14-31)19-6-9-24(27(13-19)38-3)40-28(15-32)29(35)18-5-8-23(34)26(12-18)37-2/h4-9,11-13,20-21,28-35H,10,14-16H2,1-3H3",COc1cc(CC2COC(c3ccc(OC(CO)C(O)c4ccc(O)c(OC)c4)c(OC)c3)C2CO)ccc1O,C30H36O10,pos_2_1calcium,556.230847352,MWGNJVCCJCKLGJ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 7470,514,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.91860545,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,3,13.174421787261963 7471,514,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.91860545,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,13.174421787261963 7472,514,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.91860545,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,13.174421787261963 7473,514,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.91860545,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],8,3,13.174421787261963 7474,514,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.91860545,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,13.174421787261963 7475,514,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.91860545,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,3,13.174421787261963 7476,514,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.91860545,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,3,13.174421787261963 7477,514,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.91860545,ISDB,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,13.174421787261963 7478,514,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.91860545,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,3,13.174421787261963 7479,514,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.91860545,ISDB,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,13.174421787261963 7480,513,-1,,,,0.0,MS1_match,SBZWTSHAFILOTE-KKUMJFAQSA-N,"InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H/t13-,14-,15-/m0/s1",Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2O,C15H14O7,pos_1_1proton1methanol,306.073952788,SBZWTSHAFILOTE,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7481,513,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7482,513,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 7483,513,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7484,513,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7485,513,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7486,513,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 7487,513,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OPGYGNEESA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7488,513,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OPGYGNEESA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7489,513,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 7490,513,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 7491,513,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7492,513,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7493,513,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7494,513,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 7495,513,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7496,513,-1,,,,0.0,MS1_match,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,pos_1_1proton1methanol,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7497,513,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 7498,513,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7499,513,-1,,,,0.0,MS1_match,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,pos_1_1proton1methanol,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 7500,513,-1,,,,0.0,MS1_match,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,pos_1_1proton1methanol,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7501,513,-1,,,,0.0,MS1_match,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,pos_1_1proton1methanol,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 7502,513,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 7503,513,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 7504,513,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7505,513,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7506,513,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7507,513,-1,,,,0.0,MS1_match,XMOCLSLCDHWDHP-KEKZHRQWSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15?/m1/s1",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)[C@H](O)C2,C15H14O7,pos_1_1proton1methanol,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7508,510,812,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.5459062,ISDB,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,12.683624744415283 7509,509,143,Fatty acids,Fatty amides,Primary amides,0.39823422,ISDB,ZMLQVXILYPDTDA-UHFFFAOYSA-N,"InChI=1S/C15H31NO/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H2,16,17)",CC(C)CCCCCCCCCCCC(N)=O,C15H31NO,,241.240564612,ZMLQVXILYPDTDA,Fatty acids,Fatty amides,Primary amides,Bacillus pumilus,37567.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Bacillales'],['Bacillaceae'],['Unknown'],['Bacillus'],['Bacillus pumilus'],0,3,3.092936873435974 7510,505,-1,,,,0.0,MS1_match,DRWIVSAUXCDFQK-XNMVDKJESA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3/t5-,6-,7+,8-,9-,10-,11-,12+,13+,14-,15+/m1/s1",C[C@]1(O)[C@H](Cl)[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 7511,502,2,Fatty acids,Fatty amides,Fatty aldehydes,0.8063179,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,2,8.225271701812744 7512,501,-1,,,,0.0,MS1_match,OIRDTQYFTABQOQ-KQYNXXCUSA-N,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,C10H13N5O4,pos_1_1proton,267.096753896,OIRDTQYFTABQOQ,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 7513,501,-1,,,,0.0,MS1_match,OIRDTQYFTABQOQ-KQYNXXCUSA-N,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,C10H13N5O4,pos_1_1proton,267.096753896,OIRDTQYFTABQOQ,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 7514,500,778,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,ORJDDOBAOGKRJV-CQSZACIVSA-N,"InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m1/s1",COc1cc(O)c2c(c1)O[C@@H](c1ccccc1)CC2=O,C16H14O4,pos_2_1proton1sodium,270.089208928,ORJDDOBAOGKRJV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,3,7.5 7515,500,778,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,ORJDDOBAOGKRJV-UHFFFAOYSA-N,"InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3",COc1cc(O)c2c(c1)OC(c1ccccc1)CC2=O,C16H14O4,pos_2_1proton1sodium,270.089208928,ORJDDOBAOGKRJV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus,731578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Unknown'],6,3,7.5 7516,500,778,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,ORJDDOBAOGKRJV-CQSZACIVSA-N,"InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m1/s1",COc1cc(O)c2c(c1)O[C@@H](c1ccccc1)CC2=O,C16H14O4,pos_2_1proton1sodium,270.089208928,ORJDDOBAOGKRJV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 7517,499,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 7518,499,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 7519,496,71,Fatty acids,Sphingolipids,Other Octadecanoids,0.63136065,ISDB,CQKNELOTFUSOTP-HMTIOLNVSA-N,"InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H37NO3,,315.277344044,CQKNELOTFUSOTP,Fatty acids,Sphingolipids,Sphingoid bases,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,2,7.525442600250244 7520,496,71,Fatty acids,Sphingolipids,Other Octadecanoids,0.63136065,ISDB,CQKNELOTFUSOTP-HMTIOLNVSA-N,"InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H37NO3,,315.277344044,CQKNELOTFUSOTP,Fatty acids,Sphingolipids,Sphingoid bases,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,2,7.525442600250244 7521,494,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ethylamine,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 7522,494,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ethylamine,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 7523,494,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 7524,494,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 7525,494,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 7526,494,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 7527,491,-1,,,,0.0,MS1_match,HAVNCBAQNUDYRJ-UHFFFAOYSA-N,"InChI=1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-11-6-13(24)17(14(25)7-11)15(26)8-12(23)10-4-2-1-3-5-10/h1-7,16,18-22,24-25,27-29H,8-9H2",O=C(CC(=O)c1c(O)cc(OC2OC(CO)C(O)C(O)C2O)cc1O)c1ccccc1,C21H22O10,pos_1_1sodium,434.121296904,HAVNCBAQNUDYRJ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,8.0 7528,491,-1,,,,0.0,MS1_match,RPTYTMSENWYONU-UHFFFAOYSA-N,"InChI=1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-7-11(23)6-13(25)17(15)14(26)8-12(24)10-4-2-1-3-5-10/h1-7,16,18-23,25,27-29H,8-9H2",O=C(CC(=O)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O)c1ccccc1,C21H22O10,pos_1_1sodium,434.121296904,RPTYTMSENWYONU,Polyketides,Phloroglucinols,Acyl phloroglucinols,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,8.0 7529,490,-1,,,,0.0,MS1_match,YSINCDVRUMTOPK-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-13-6-11(18)7-14-15(13)16(19)12(8-21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)cc2occ(-c3ccc(O)cc3)c(=O)c12,C16H12O5,pos_1_1proton1isopropanol,284.068473484,YSINCDVRUMTOPK,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Cotoneaster simonsii,3903153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster simonsii'],7,0,7.0 7530,488,-1,,,,0.21409214,ISDB,BZORLJPADUHVJE-QWBBESJSSA-N,"InChI=1S/C39H54O7/c1-23-16-19-39(33(43)44)21-20-36(5)26(31(39)38(23,7)45)13-14-29-35(4)22-27(41)32(34(2,3)28(35)17-18-37(29,36)6)46-30(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,23,27-29,31-32,40-41,45H,14,16-22H2,1-7H3,(H,43,44)/b15-10+/t23-,27-,28+,29-,31-,32+,35+,36-,37-,38-,39+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C39H54O7,,634.386954068,BZORLJPADUHVJE,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.856368541717529 7531,486,-1,,,,0.0,MS1_match,KYRNFTRJARVVEU-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c1-4-2-6(8)9-5(4)3-7/h2-3,8H,1H3",Cc1cc(O)oc1C=O,C6H6O3,pos_1_1proton,126.031694052,KYRNFTRJARVVEU,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 7532,486,-1,,,,0.0,MS1_match,NOEGNKMFWQHSLB-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2",O=Cc1ccc(CO)o1,C6H6O3,pos_1_1proton,126.031694052,NOEGNKMFWQHSLB,Polyketides,Cyclic polyketides,Furans,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],6,0,6.0 7533,485,-1,,,,0.20433824,ISDB,KNARYUCFPVYOGC-UHFFFAOYSA-N,"InChI=1S/C40H77NO10/c1-3-5-7-9-10-11-12-13-14-15-16-20-24-28-35(45)41-32(30-50-40-39(49)38(48)37(47)34(29-42)51-40)36(46)33(44)27-23-19-17-18-22-26-31(43)25-21-8-6-4-2/h11-12,31-34,36-40,42-44,46-49H,3-10,13-30H2,1-2H3,(H,41,45)",CCCCCCC=CCCCCCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCC(O)CCCCCC,C40H77NO10,,731.554747664,KNARYUCFPVYOGC,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Symphyotrichum subulatum,965961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Symphyotrichum'],['Symphyotrichum subulatum'],4,0,4.8173529505729675 7534,485,-1,,,,0.20433824,ISDB,KNARYUCFPVYOGC-RILHEVMBSA-N,"InChI=1S/C40H77NO10/c1-3-5-7-9-10-11-12-13-14-15-16-20-24-28-35(45)41-32(30-50-40-39(49)38(48)37(47)34(29-42)51-40)36(46)33(44)27-23-19-17-18-22-26-31(43)25-21-8-6-4-2/h11-12,31-34,36-40,42-44,46-49H,3-10,13-30H2,1-2H3,(H,41,45)/b12-11+/t31-,32-,33-,34-,36+,37-,38+,39-,40-/m1/s1",CCCCCC/C=C/CCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCC[C@H](O)CCCCCC,C40H77NO10,,731.554747664,KNARYUCFPVYOGC,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Erigeron bonariensis,747355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza bonariensis'],4,0,4.8173529505729675 7535,485,-1,,,,0.20433824,ISDB,KNARYUCFPVYOGC-RILHEVMBSA-N,"InChI=1S/C40H77NO10/c1-3-5-7-9-10-11-12-13-14-15-16-20-24-28-35(45)41-32(30-50-40-39(49)38(48)37(47)34(29-42)51-40)36(46)33(44)27-23-19-17-18-22-26-31(43)25-21-8-6-4-2/h11-12,31-34,36-40,42-44,46-49H,3-10,13-30H2,1-2H3,(H,41,45)/b12-11+/t31-,32-,33-,34-,36+,37-,38+,39-,40-/m1/s1",CCCCCC/C=C/CCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCC[C@H](O)CCCCCC,C40H77NO10,,731.554747664,KNARYUCFPVYOGC,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Conyza bonariensis,747355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza bonariensis'],4,0,4.8173529505729675 7536,482,629,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1sodium1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 7537,482,629,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1sodium1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 7538,481,-1,,,,0.0,MS1_match,TYWMIZZBOVGFOV-UHFFFAOYSA-N,"InChI=1S/C24H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h25H,2-24H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCO,C24H50O,pos_1_1proton1acetonitrile,354.38616622,TYWMIZZBOVGFOV,Fatty acids,Fatty acyls,Fatty alcohols,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 7539,480,123,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,IKXFGEKULKZDCJ-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8(6)9(15)5-3-7(14)12(17)18-11(5)10(4)16/h3,14-16H,1-2H2",O=C1CCc2c1c(O)c1cc(O)c(=O)oc1c2O,C12H8O6,pos_1_1proton1isopropanol,248.032087976,IKXFGEKULKZDCJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,1,6.5 7540,479,337,Shikimates and Phenylpropanoids,,,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1sodium,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,1,6.5 7541,479,337,Shikimates and Phenylpropanoids,,,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1sodium,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,1,6.5 7542,478,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,UHUFTBALEZWWIH-UHFFFAOYSA-N,"InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3",CCCCCCCCCCCCCC=O,C14H28O,pos_1_1proton1acetonitrile,212.214015516,UHUFTBALEZWWIH,Fatty acids,Fatty acyls,Fatty aldehydes,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 7543,478,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,UTOPWMOLSKOLTQ-UHFFFAOYSA-N,"InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)",CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C28H56O2,pos_2_2proton2acetonitrile,424.4280310319999,UTOPWMOLSKOLTQ,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 7544,475,362,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,JSHLJKSNROBZCN-GKSSWXCNSA-N,"InChI=1S/C30H26O10/c31-15-4-1-13(2-5-15)29-27(38)25(17-7-6-16(32)10-24(17)39-29)26-22(36)12-20(34)18-11-23(37)28(40-30(18)26)14-3-8-19(33)21(35)9-14/h1-10,12,23,25,27-29,31-38H,11H2/t23-,25-,27-,28-,29-/m1/s1",Oc1ccc([C@H]2Oc3cc(O)ccc3[C@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)[C@H]2O)cc1,C30H26O10,pos_2_2sodium,546.1525970319999,JSHLJKSNROBZCN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 7545,475,362,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,JSHLJKSNROBZCN-GKSSWXCNSA-N,"InChI=1S/C30H26O10/c31-15-4-1-13(2-5-15)29-27(38)25(17-7-6-16(32)10-24(17)39-29)26-22(36)12-20(34)18-11-23(37)28(40-30(18)26)14-3-8-19(33)21(35)9-14/h1-10,12,23,25,27-29,31-38H,11H2/t23-,25-,27-,28-,29-/m1/s1",Oc1ccc([C@H]2Oc3cc(O)ccc3[C@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)[C@H]2O)cc1,C30H26O10,pos_2_2sodium,546.1525970319999,JSHLJKSNROBZCN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 7546,473,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,AGPKZVBTJJNPAG-WHFBIAKZSA-N,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1",CC[C@H](C)[C@H](N)C(=O)O,C6H13NO2,pos_1_1proton,131.094628656,AGPKZVBTJJNPAG,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 7547,473,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,AGPKZVBTJJNPAG-WHFBIAKZSA-N,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1",CC[C@H](C)[C@H](N)C(=O)O,C6H13NO2,pos_1_1proton,131.094628656,AGPKZVBTJJNPAG,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 7548,473,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ROHFNLRQFUQHCH-YFKPBYRVSA-N,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1",CC(C)C[C@H](N)C(=O)O,C6H13NO2,pos_1_1proton,131.094628656,ROHFNLRQFUQHCH,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 7549,469,-1,,,,0.0,MS1_match,SHZMGEYUEFSGCM-DNRYLMBSSA-N,"InChI=1S/C15H20O8/c1-6-4-8(17)7-2-3-21-14(10(6)7)23-15-13(20)12(19)11(18)9(5-16)22-15/h2-4,7,9-16,18-20H,5H2,1H3/t7-,9+,10+,11+,12-,13+,14-,15-/m0/s1",CC1=CC(=O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H20O8,pos_1_1potassium,328.1158176,SHZMGEYUEFSGCM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 7550,469,-1,,,,0.0,MS1_match,VKOSQMWSWLZQPA-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-13-6-9(4-5-10(13)19)12-7-11(20)16-14(25-12)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3",COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)ccc1O,C18H16O7,pos_1_1sodium,344.0896028519999,VKOSQMWSWLZQPA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Sorbus pallescens,3903574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus pallescens'],7,0,7.0 7551,469,-1,,,,0.0,MS1_match,OEEUHNAUMMATJT-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-7-11(19)15-14(8-10)25-18(17(21)16(15)20)9-4-5-12(23-2)13(6-9)24-3/h4-8,19,21H,1-3H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1,C18H16O7,pos_1_1sodium,344.0896028519999,OEEUHNAUMMATJT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Dasiphora fruticosa,782136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Dasiphora'],['Dasiphora fruticosa'],7,0,7.0 7552,469,-1,,,,0.0,MS1_match,OEEUHNAUMMATJT-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-7-11(19)15-14(8-10)25-18(17(21)16(15)20)9-4-5-12(23-2)13(6-9)24-3/h4-8,19,21H,1-3H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1,C18H16O7,pos_1_1sodium,344.0896028519999,OEEUHNAUMMATJT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Potentilla fruticosa,782136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Dasiphora'],['Dasiphora fruticosa'],7,0,7.0 7553,467,155,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ethylamine,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,3,7.5 7554,467,155,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ethylamine,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,3,7.5 7555,465,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.29986906,ISDB,ABTMNXMGKVGBEE-UHFFFAOYSA-N,"InChI=1S/C30H38O/c1-14-18(10-17-11-19(14)28(17,4)5)26-22-12-20(29(22,6)7)15(2)24(26)25-16(3)21-13-23(27(25)31)30(21,8)9/h10,17,22-23,31H,11-13H2,1-9H3",CC1=C2CC(C=C1C1=C(C3=C(O)C4CC(=C3C)C4(C)C)C(C)=C3CC1C3(C)C)C2(C)C,C30H38O,,414.292265836,ABTMNXMGKVGBEE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Origanum cordifolium,5801117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum cordifolium'],4,1,5.69947624206543 7556,463,86,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_minus1proton1calcium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 7557,463,86,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_minus1proton1calcium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,3,7.5 7558,462,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2771494,ISDB,NXIXBHMKUKUWCV-VSGBNLITSA-N,"InChI=1S/C29H36O/c1-23(2)10-9-15-26-17-20-28(29(30)21-18-25-13-7-4-8-14-25)27(22-26)19-16-24-11-5-3-6-12-24/h3-8,10-14,17,27-28H,9,15-16,18-22H2,1-2H3/t27-,28-/m1/s1",CC(C)=CCCC1=CC[C@@H](C(=O)CCc2ccccc2)[C@H](CCc2ccccc2)C1,C29H36O,,400.276615772,NXIXBHMKUKUWCV,Terpenoids,,,Alpinia officinarum,477388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia officinarum'],4,1,5.608597636222839 7559,461,227,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.24575035,ISDB,LWBHKKLWSUFUNZ-UHFFFAOYSA-N,"InChI=1S/C17H16O6/c1-21-10-6-12(19)17-13(20)8-15(23-16(17)7-10)9-3-4-14(22-2)11(18)5-9/h3-7,15,18-19H,8H2,1-2H3",COc1cc(O)c2c(c1)OC(c1ccc(OC)c(O)c1)CC2=O,C17H16O6,,316.09468823199995,LWBHKKLWSUFUNZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,8.483001410961151 7560,460,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,VOJBXZDIFIJUKD-HYNBTVFTSA-N,"InChI=1S/C10H14O2/c1-7(2)4-5-9-6-8(3)10(11)12-9/h4-5,8-9H,1,6H2,2-3H3/b5-4+/t8-,9+/m0/s1",C=C(C)/C=C/[C@@H]1C[C@H](C)C(=O)O1,C10H14O2,pos_1_1proton1ethylamine,166.099379688,VOJBXZDIFIJUKD,Terpenoids,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,1,7.5 7561,460,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,NSMIMJYEKVSYMT-OLKPEBQYSA-N,"InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6+/t10-/m1/s1",C=C[C@@](C)(O)CC/C=C(\C)CO,C10H18O2,pos_1_1proton1acetonitrile,170.130679816,NSMIMJYEKVSYMT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 7562,460,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,NSMIMJYEKVSYMT-OLKPEBQYSA-N,"InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6+/t10-/m1/s1",C=C[C@@](C)(O)CC/C=C(\C)CO,C10H18O2,pos_1_1proton1acetonitrile,170.130679816,NSMIMJYEKVSYMT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 7563,457,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.648706,ISDB,,,,,,,XCADPUVJDQXSTQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.5948240756988525 7564,456,-1,,,,0.0,MS1_match,OJGRBKZBRBHZGE-NBVRZTHBSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-32(49)28(45)34(22(54-38)16-50-35-29(46)25(42)23(40)19(5)51-35)56-37-31(48)27(44)33(21(7)53-37)55-36-30(47)26(43)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+",C=CC(C)(CC/C=C(\C)CCC=C(C)C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1O,C39H66O18,pos_2_2sodium,822.424915272,OJGRBKZBRBHZGE,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 7565,456,-1,,,,0.0,MS1_match,RTDSIIMUYUALQO-BWJXBXLQSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-34(28(45)25(42)22(54-38)16-50-35-30(47)26(43)23(40)19(5)51-35)56-37-32(49)29(46)33(21(7)53-37)55-36-31(48)27(44)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+/t19-,20-,21-,22+,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-/m0/s1",C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C39H66O18,pos_2_2sodium,822.424915272,RTDSIIMUYUALQO,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 7566,455,-1,,,,0.0,MS1_match,ADHNTNYEJYJUCU-ZSJFXSENSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-15-14(21)13(20)11(7-17)24-16(15)22/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16?/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O,C16H20O9,pos_1_1potassium,356.11073222,ADHNTNYEJYJUCU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7567,455,-1,,,,0.0,MS1_match,FWHJRKHBZLMKQW-DZLOKQDQSA-N,"InChI=1S/C16H20O9/c1-25-12-6-8(2-4-9(12)18)3-5-10(19)13(21)15(23)16(24)14(22)11(20)7-17/h2-6,11,14-18,20,22-24H,7H2,1H3/b5-3+/t11-,14-,15+,16+/m1/s1",COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H20O9,pos_1_1potassium,356.1107322199999,FWHJRKHBZLMKQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7568,454,-1,,,,0.7365153,ISDB,WKQNRCYKYCKESD-YVHLTTHBSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3/b7-6-,10-9-,13-12-/t25-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,0,6.946061134338379 7569,454,-1,,,,0.7365153,ISDB,WKQNRCYKYCKESD-UHFFFAOYSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,0,6.946061134338379 7570,452,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.48159665,ISDB,BCNPTKKIVMTZFO-UHFFFAOYSA-N,"InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3",CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=O,C22H30O2,,326.2245802,BCNPTKKIVMTZFO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,1,6.426386594772339 7571,452,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.48159665,ISDB,BCNPTKKIVMTZFO-BWEORVRESA-N,"InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3/b7-6+,10-8+,13-12+,17-9-,18-11+/t20-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=O)C(C)(C)C[C@H](O)C1,C22H30O2,,326.2245802,BCNPTKKIVMTZFO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,1,6.426386594772339 7572,450,63,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.394822,ISDB,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,12.079288005828857 7573,448,71,Fatty acids,Sphingolipids,Other Octadecanoids,0.6345972,ISDB,AERBNCYCJBRYDG-KSZLIROESA-N,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H39NO3,,317.292994108,AERBNCYCJBRYDG,Fatty acids,Sphingolipids,Sphingoid bases,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,2,7.538388729095459 7574,448,71,Fatty acids,Sphingolipids,Other Octadecanoids,0.6345972,ISDB,AERBNCYCJBRYDG-KSZLIROESA-N,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H39NO3,,317.292994108,AERBNCYCJBRYDG,Fatty acids,Sphingolipids,Sphingoid bases,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,2,7.538388729095459 7575,448,71,Fatty acids,Sphingolipids,Other Octadecanoids,0.6345972,ISDB,AERBNCYCJBRYDG-KSZLIROESA-N,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H39NO3,,317.292994108,AERBNCYCJBRYDG,Fatty acids,Sphingolipids,Sphingoid bases,Asparagus officinalis,748359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus officinalis'],4,2,7.538388729095459 7576,447,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,PHYRDHNRZZXQPO-BDAKNGLRSA-N,"InChI=1S/C10H16O3/c1-7(2)5-9-6-8(10(11)12)3-4-13-9/h5,8-9H,3-4,6H2,1-2H3,(H,11,12)/t8-,9+/m1/s1",CC(C)=C[C@H]1C[C@H](C(=O)O)CCO1,C10H16O3,pos_1_1proton1ethylamine,184.109944372,PHYRDHNRZZXQPO,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Sibiraea angustata,1004734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Sibiraea'],['Sibiraea angustata'],6,3,7.5 7577,445,142,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.37785828,ISDB,WWRCMNKATXZARA-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3",Cc1ccccc1C(C)C,C10H14,,134.109550448,WWRCMNKATXZARA,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,11.011433124542236 7578,443,252,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.60538197,ISDB,BWBYOMWIDCKMAI-LNMZYWNMSA-N,"InChI=1S/C12H18O9/c1-5(14)12(18)2-6(4-19-12)20-11-10(17)9(16)8(15)7(3-13)21-11/h2,7-11,13,15-18H,3-4H2,1H3/t7-,8-,9+,10-,11-,12?/m1/s1",CC(=O)C1(O)C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CO1,C12H18O9,,306.095082156,BWBYOMWIDCKMAI,,,,Penicillium citrinum,226488.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium citrinum'],1,0,3.421527862548828 7579,442,-1,,,,0.0,MS1_match,OTDUGESKRJHFHR-SUXCAEKLSA-N,"InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21+,22-,23+,24-,28-,29+,30+,31-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O4,pos_1_minus1proton1iron,486.3709100799999,OTDUGESKRJHFHR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],7,0,7.0 7580,442,-1,,,,0.0,MS1_match,OTDUGESKRJHFHR-SUXCAEKLSA-N,"InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21+,22-,23+,24-,28-,29+,30+,31-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O4,pos_1_minus1proton1iron,486.3709100799999,OTDUGESKRJHFHR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],7,0,7.0 7581,442,-1,,,,0.0,MS1_match,BRZWXKGDPAZBLF-ZLSCOBDWSA-N,"InChI=1S/C31H50O4/c1-18-11-14-31(26(34)35-8)16-15-29(6)20(24(31)19(18)2)9-10-23-28(5)17-21(32)25(33)27(3,4)22(28)12-13-30(23,29)7/h9,18-19,21-25,32-33H,10-17H2,1-8H3/t18-,19+,21-,22+,23-,24+,25-,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O4,pos_1_minus1proton1iron,486.37091007999993,BRZWXKGDPAZBLF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 7582,442,-1,,,,0.0,MS1_match,OTDUGESKRJHFHR-SUXCAEKLSA-N,"InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21+,22-,23+,24-,28-,29+,30+,31-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O4,pos_1_minus1proton1iron,486.3709100799999,OTDUGESKRJHFHR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 7583,442,-1,,,,0.0,MS1_match,OTDUGESKRJHFHR-SUXCAEKLSA-N,"InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21+,22-,23+,24-,28-,29+,30+,31-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O4,pos_1_minus1proton1iron,486.3709100799999,OTDUGESKRJHFHR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],7,0,7.0 7584,442,-1,,,,0.0,MS1_match,OTDUGESKRJHFHR-SUXCAEKLSA-N,"InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21+,22-,23+,24-,28-,29+,30+,31-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O4,pos_1_minus1proton1iron,486.3709100799999,OTDUGESKRJHFHR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 7585,442,-1,,,,0.0,MS1_match,BRZWXKGDPAZBLF-ZLSCOBDWSA-N,"InChI=1S/C31H50O4/c1-18-11-14-31(26(34)35-8)16-15-29(6)20(24(31)19(18)2)9-10-23-28(5)17-21(32)25(33)27(3,4)22(28)12-13-30(23,29)7/h9,18-19,21-25,32-33H,10-17H2,1-8H3/t18-,19+,21-,22+,23-,24+,25-,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O4,pos_1_minus1proton1iron,486.37091007999993,BRZWXKGDPAZBLF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 7586,442,-1,,,,0.0,MS1_match,OTDUGESKRJHFHR-SUXCAEKLSA-N,"InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21+,22-,23+,24-,28-,29+,30+,31-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O4,pos_1_minus1proton1iron,486.3709100799999,OTDUGESKRJHFHR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],7,0,7.0 7587,442,-1,,,,0.0,MS1_match,OTDUGESKRJHFHR-SUXCAEKLSA-N,"InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21+,22-,23+,24-,28-,29+,30+,31-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O4,pos_1_minus1proton1iron,486.3709100799999,OTDUGESKRJHFHR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 7588,442,-1,,,,0.0,MS1_match,OTDUGESKRJHFHR-SUXCAEKLSA-N,"InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21+,22-,23+,24-,28-,29+,30+,31-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O4,pos_1_minus1proton1iron,486.3709100799999,OTDUGESKRJHFHR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 7589,439,391,,,,0.0,MS1_match,NVTNXPADRDASMP-PEXIWSMMSA-N,"InChI=1S/C17H30O10/c1-2-3-4-5-6-24-17-15(23)13(21)12(20)10(27-17)8-26-16-14(22)11(19)9(18)7-25-16/h3-4,9-23H,2,5-8H2,1H3/b4-3-/t9-,10-,11+,12-,13+,14-,15-,16+,17-/m1/s1",CC/C=C\CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C17H30O10,pos_1_1sodium,394.18389716,NVTNXPADRDASMP,,,,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 7590,438,387,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,10.0 7591,437,407,Terpenoids,Pseudoalkaloids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1sodium,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 7592,437,407,Terpenoids,Pseudoalkaloids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1sodium,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 7593,437,407,Terpenoids,Pseudoalkaloids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1sodium,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 7594,437,407,Terpenoids,Pseudoalkaloids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1sodium,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 7595,437,407,Terpenoids,Pseudoalkaloids,Megastigmanes,0.0,MS1_match,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,pos_1_1sodium,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 7596,437,407,Terpenoids,Pseudoalkaloids,Megastigmanes,0.0,MS1_match,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,pos_1_1sodium,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 7597,436,-1,,,,0.0,MS1_match,SHZMGEYUEFSGCM-DNRYLMBSSA-N,"InChI=1S/C15H20O8/c1-6-4-8(17)7-2-3-21-14(10(6)7)23-15-13(20)12(19)11(18)9(5-16)22-15/h2-4,7,9-16,18-20H,5H2,1H3/t7-,9+,10+,11+,12-,13+,14-,15-/m0/s1",CC1=CC(=O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H20O8,pos_1_1sodium,328.1158176,SHZMGEYUEFSGCM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 7598,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 7599,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus samydoides,5530399.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus samydoides'],8,0,8.0 7600,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 7601,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 7602,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 7603,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 7604,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 7605,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7606,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Potentilla argentea,355267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla argentea'],8,0,8.0 7607,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-UHFFFAOYSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.3861662199999,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 7608,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,0,8.0 7609,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 7610,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus samydoides,5530399.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus samydoides'],8,0,8.0 7611,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 7612,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 7613,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 7614,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 7615,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],8,0,8.0 7616,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Potentilla argentea,355267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla argentea'],8,0,8.0 7617,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 7618,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-UHFFFAOYSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.3861662199999,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7619,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 7620,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],8,0,8.0 7621,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-UHFFFAOYSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.3861662199999,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 7622,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-UHFFFAOYSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.3861662199999,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7623,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7624,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 7625,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 7626,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 7627,434,-1,,,,0.0,MS1_match,KZJWDPNRJALLNS-VJSFXXLFSA-N,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O,pos_1_minus1proton1iron,414.38616622,KZJWDPNRJALLNS,Terpenoids,Steroids,Stigmastane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 7628,433,183,Terpenoids,Sesquiterpenoids,Picrotoxane sesquiterpenoids,0.0,MS1_match,IKTUZVAVHCTHSU-ULZPOIKGSA-N,"InChI=1S/C15H18O6/c1-5(2)6-7-12(16)20-8(6)9-13(3)14(17,4-19-9)10-11(21-10)15(7,13)18/h6-11,17-18H,1,4H2,2-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1",C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(O)CO[C@H]2[C@]13C,C15H18O6,pos_1_1sodium,294.11033829599995,IKTUZVAVHCTHSU,Terpenoids,Sesquiterpenoids,Picrotoxane sesquiterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 7629,432,-1,,,,0.27465996,ISDB,,,,,,,ZYHCZHIJBQGRNF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0986398458480835 7630,430,-1,,,,0.0,MS1_match,ADYXLPOPBKTEGQ-XCOQKUFESA-N,"InChI=1S/C36H52O4/c1-23(2)10-7-11-24(3)12-8-13-25(4)14-9-15-30-20-21-31-34-32(28-16-18-29(37)19-17-28)22-33(38)40-36(34)27(6)26(5)35(31)39-30/h16-19,23-25,30,32,37H,7-15,20-22H2,1-6H3/t24-,25-,30-,32-/m1/s1",Cc1c(C)c2c(c3c1O[C@H](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC3)[C@@H](c1ccc(O)cc1)CC(=O)O2,C36H52O4,pos_2_2proton,548.386560144,ADYXLPOPBKTEGQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 7631,426,-1,,,,0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1sodium,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 7632,426,-1,,,,0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1sodium,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 7633,425,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7032216,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,1,11.312886476516724 7634,425,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7032216,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,11.312886476516724 7635,425,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7032216,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,11.312886476516724 7636,424,5,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.48495978,ISDB,,,,,,,IIRDTKBZINWQAW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9398391246795654 7637,423,362,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,JBBSYDONQXCLOU-UHFFFAOYSA-N,"InChI=1S/C29H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(30)33-27-24-22-26(23-25-27)29(31)32/h9-10,22-25H,2-8,11-21H2,1H3,(H,31,32)",CCCCCCCCC=CCCCCCCCCCCCC(=O)Oc1ccc(C(=O)O)cc1,C29H46O4,pos_1_1sodium1acetonitrile,458.339609952,JBBSYDONQXCLOU,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 7638,423,362,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,JBBSYDONQXCLOU-UHFFFAOYSA-N,"InChI=1S/C29H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(30)33-27-24-22-26(23-25-27)29(31)32/h9-10,22-25H,2-8,11-21H2,1H3,(H,31,32)",CCCCCCCCC=CCCCCCCCCCCCC(=O)Oc1ccc(C(=O)O)cc1,C29H46O4,pos_1_1sodium1acetonitrile,458.339609952,JBBSYDONQXCLOU,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 7639,422,114,Polyketides,Cyclic polyketides,2-pyrone derivatives,0.51709956,ISDB,KFTJQBMBWGAXNI-HCLFTBTMSA-N,"InChI=1S/C27H34O2/c1-24(2)21-11-13-27-12-10-20(26(4,29)17-27)15-22(27)25(21,3)16-19(23(24)28)14-18-8-6-5-7-9-18/h5-10,12,14,20-22,29H,11,13,15-17H2,1-4H3/b19-14+/t20-,21+,22-,25+,26-,27+/m0/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H34O2,,390.255880328,KFTJQBMBWGAXNI,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,0,6.0683982372283936 7640,417,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1proton1ethylamine,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 7641,417,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1proton1ethylamine,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 7642,413,732,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RKHQLCNACMCZQU-UHFFFAOYSA-N,"InChI=1S/C31H28O14/c1-41-20-10-14(2-8-18(20)34)3-9-23(36)42-13-22-25(37)27(39)28(40)31(44-22)45-30-26(38)24-19(35)11-17(33)12-21(24)43-29(30)15-4-6-16(32)7-5-15/h2-12,22,25,27-28,31-35,37,39-40H,13H2,1H3",COc1cc(C=CC(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)ccc1O,C31H28O14,pos_2_2proton2acetonitrile,624.147905576,RKHQLCNACMCZQU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Polylepis besseri,664135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis besseri'],6,3,7.5 7643,413,732,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RKHQLCNACMCZQU-UHFFFAOYSA-N,"InChI=1S/C31H28O14/c1-41-20-10-14(2-8-18(20)34)3-9-23(36)42-13-22-25(37)27(39)28(40)31(44-22)45-30-26(38)24-19(35)11-17(33)12-21(24)43-29(30)15-4-6-16(32)7-5-15/h2-12,22,25,27-28,31-35,37,39-40H,13H2,1H3",COc1cc(C=CC(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)ccc1O,C31H28O14,pos_2_2proton2acetonitrile,624.147905576,RKHQLCNACMCZQU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Polylepis incana,141740.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis incana'],6,3,7.5 7644,413,732,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RKHQLCNACMCZQU-UHFFFAOYSA-N,"InChI=1S/C31H28O14/c1-41-20-10-14(2-8-18(20)34)3-9-23(36)42-13-22-25(37)27(39)28(40)31(44-22)45-30-26(38)24-19(35)11-17(33)12-21(24)43-29(30)15-4-6-16(32)7-5-15/h2-12,22,25,27-28,31-35,37,39-40H,13H2,1H3",COc1cc(C=CC(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)ccc1O,C31H28O14,pos_2_2proton2acetonitrile,624.147905576,RKHQLCNACMCZQU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Polylepis besseri,664135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis besseri'],6,3,7.5 7645,413,732,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RKHQLCNACMCZQU-UHFFFAOYSA-N,"InChI=1S/C31H28O14/c1-41-20-10-14(2-8-18(20)34)3-9-23(36)42-13-22-25(37)27(39)28(40)31(44-22)45-30-26(38)24-19(35)11-17(33)12-21(24)43-29(30)15-4-6-16(32)7-5-15/h2-12,22,25,27-28,31-35,37,39-40H,13H2,1H3",COc1cc(C=CC(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)ccc1O,C31H28O14,pos_2_2proton2acetonitrile,624.147905576,RKHQLCNACMCZQU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Polylepis incana,141740.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis incana'],6,3,7.5 7646,413,732,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FSHKRIFUEGZCIN-DPFCLURTSA-N,"InChI=1S/C31H28O14/c1-41-20-10-15(5-8-18(20)33)30-28(39)26(37)24-19(34)11-17(12-21(24)44-30)43-31-29(40)27(38)25(36)22(45-31)13-42-23(35)9-4-14-2-6-16(32)7-3-14/h2-12,22,25,27,29,31-34,36,38-40H,13H2,1H3/b9-4+/t22-,25-,27+,29-,31-/m1/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O)ccc1O,C31H28O14,pos_2_2proton2acetonitrile,624.147905576,FSHKRIFUEGZCIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,3,7.5 7647,412,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.5109037,ISDB,UMEJBWOWZDRULR-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3",CC1=CCC(C(C)C=O)CC1,C10H16O,,152.120115132,UMEJBWOWZDRULR,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,2,11.043614864349365 7648,409,-1,,,,0.0,MS1_match,RHAUKLKHALHJDY-MKTDUQEUSA-N,"InChI=1S/C20H30O11/c1-9-13(21)15(23)17(25)19(30-9)29-8-12-14(22)16(24)18(26)20(31-12)28-7-10-3-5-11(27-2)6-4-10/h3-6,9,12-26H,7-8H2,1-2H3/t9-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1",COc1ccc(CO[C@H]2O[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1,C20H30O11,pos_1_1sodium,446.17881177999976,RHAUKLKHALHJDY,,,,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,0,6.0 7649,409,-1,,,,0.0,MS1_match,RHAUKLKHALHJDY-MKTDUQEUSA-N,"InChI=1S/C20H30O11/c1-9-13(21)15(23)17(25)19(30-9)29-8-12-14(22)16(24)18(26)20(31-12)28-7-10-3-5-11(27-2)6-4-10/h3-6,9,12-26H,7-8H2,1-2H3/t9-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1",COc1ccc(CO[C@H]2O[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1,C20H30O11,pos_1_1sodium,446.17881177999976,RHAUKLKHALHJDY,,,,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,0,6.0 7650,409,-1,,,,0.0,MS1_match,STTPJOGYSWZEII-LGJFGNOYSA-N,"InChI=1S/C20H30O11/c1-9-13(22)15(24)17(26)19(30-9)29-8-12-14(23)16(25)18(27)20(31-12)28-7-11(21)10-5-3-2-4-6-10/h2-6,9,11-27H,7-8H2,1H3/t9-,11-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OC[C@H](O)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C20H30O11,pos_1_1sodium,446.17881177999976,STTPJOGYSWZEII,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,0,6.0 7651,409,-1,,,,0.0,MS1_match,STTPJOGYSWZEII-LGJFGNOYSA-N,"InChI=1S/C20H30O11/c1-9-13(22)15(24)17(26)19(30-9)29-8-12-14(23)16(25)18(27)20(31-12)28-7-11(21)10-5-3-2-4-6-10/h2-6,9,11-27H,7-8H2,1H3/t9-,11-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OC[C@H](O)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C20H30O11,pos_1_1sodium,446.17881177999976,STTPJOGYSWZEII,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,0,6.0 7652,407,208,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.44384065,ISDB,XOFDOXJFXCEFDE-CYBMUJFWSA-N,"InChI=1S/C13H18/c1-10-6-7-11-12(2,3)8-5-9-13(10,11)4/h5-7,9H,8H2,1-4H3/t13-/m1/s1",CC1=CC=C2C(C)(C)CC=C[C@]12C,C13H18,,174.140850576,XOFDOXJFXCEFDE,Terpenoids,Monoterpenoids,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,1,9.275362610816956 7653,404,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,HNDVDQJCIGZPNO-YFKPBYRVSA-N,"InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1",N[C@@H](Cc1cnc[nH]1)C(=O)O,C6H9N3O2,pos_1_1proton,155.069476528,HNDVDQJCIGZPNO,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 7654,402,196,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,10.0 7655,398,143,Fatty acids,Fatty amides,Primary amides,0.58947825,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],5,3,8.85791301727295 7656,397,-1,,,,0.2905804,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula sandai,920655.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula sandai'],1,0,2.1623215675354004 7657,397,-1,,,,0.2905804,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Crassostrea gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,0,2.1623215675354004 7658,397,-1,,,,0.2905804,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Magallana gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,0,2.1623215675354004 7659,397,-1,,,,0.2905804,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula japonica,920654.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula japonica'],1,0,2.1623215675354004 7660,395,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.46795365,ISDB,HQPQTQQUHPFUOA-ZCPYHVQDSA-N,"InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+/t25-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)C(C)(C)C[C@H](O)C1,C27H36O2,,392.271530392,HQPQTQQUHPFUOA,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,1,6.371814608573914 7661,394,227,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.49402744,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,11.976109743118286 7662,392,73,Terpenoids,Steroids,Cholestane steroids,0.3170481,ISDB,AMMKCVYTIVZBCS-XFRWUBLRSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h15-16,18-24,29H,7-14,17H2,1-6H3/t19-,20-,21+,22-,23-,24-,25-,26-,27-,28+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3,C28H46O3,,430.344695332,AMMKCVYTIVZBCS,Terpenoids,Steroids,Cholestane steroids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,6.768192410469055 7663,392,73,Terpenoids,Steroids,Cholestane steroids,0.3170481,ISDB,AMMKCVYTIVZBCS-UHFFFAOYSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h15-16,18-24,29H,7-14,17H2,1-6H3",CC(C)C(C)CCC(C)C1CCC2C1(C)CCC1C23C=CC2(CC(O)CCC12C)OO3,C28H46O3,,430.344695332,AMMKCVYTIVZBCS,Terpenoids,Steroids,Cholestane steroids,Helianthus tuberosus,515709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus tuberosus'],4,3,6.768192410469055 7664,389,241,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1proton1ammonium,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,8.5 7665,389,241,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1proton1ammonium,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 7666,387,-1,,,,0.39617226,ISDB,HRAQMGWTPNOILP-UHFFFAOYSA-N,"InChI=1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3",CCOC(=O)c1ccc(OCC)cc1,C11H14O3,,194.094294308,HRAQMGWTPNOILP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],0,0,1.5846890211105347 7667,387,-1,,,,0.39617226,ISDB,HRAQMGWTPNOILP-UHFFFAOYSA-N,"InChI=1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3",CCOC(=O)c1ccc(OCC)cc1,C11H14O3,,194.094294308,HRAQMGWTPNOILP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,1.5846890211105347 7668,387,-1,,,,0.39617226,ISDB,HRAQMGWTPNOILP-UHFFFAOYSA-N,"InChI=1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3",CCOC(=O)c1ccc(OCC)cc1,C11H14O3,,194.094294308,HRAQMGWTPNOILP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],0,0,1.5846890211105347 7669,385,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.30980343,ISDB,RLGBUTVIBWFTRW-IIEYBPOLSA-N,"InChI=1S/C27H36O3/c1-24(2)20-11-13-27-12-10-18(26(4,30)16-27)14-21(27)25(20,3)15-19(23(24)29)22(28)17-8-6-5-7-9-17/h5-10,12,18-22,28,30H,11,13-16H2,1-4H3/t18-,19+,20+,21-,22+,25+,26-,27+/m0/s1",CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H36O3,,408.266445012,RLGBUTVIBWFTRW,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,1,5.739213705062866 7670,384,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,FXFHFOSEURHWMO-HHTZHRADSA-N,"InChI=1S/C37H50O20/c1-16-26(42)28(44)31(47)37(53-16)57-34-32(48)36(51-11-10-18-5-8-21(49-2)20(40)12-18)55-24(15-52-35-30(46)29(45)27(43)23(14-38)54-35)33(34)56-25(41)9-6-17-4-7-19(39)22(13-17)50-3/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3/b9-6+/t16-,23+,24+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,36+,37-/m0/s1",COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O,C37H50O20,pos_2_2sodium,814.289544,FXFHFOSEURHWMO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,1,7.5 7671,384,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,FXFHFOSEURHWMO-HHTZHRADSA-N,"InChI=1S/C37H50O20/c1-16-26(42)28(44)31(47)37(53-16)57-34-32(48)36(51-11-10-18-5-8-21(49-2)20(40)12-18)55-24(15-52-35-30(46)29(45)27(43)23(14-38)54-35)33(34)56-25(41)9-6-17-4-7-19(39)22(13-17)50-3/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3/b9-6+/t16-,23+,24+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,36+,37-/m0/s1",COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O,C37H50O20,pos_2_2sodium,814.289544,FXFHFOSEURHWMO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,1,7.5 7672,379,277,Amino acids and Peptides,Small peptides,Dipeptides,0.80874,ISDB,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,12.734960079193115 7673,376,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 7674,376,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 7675,376,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 7676,376,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 7677,376,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 7678,376,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 7679,376,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,QRWNMJBTANFMHA-VBTGVMJWSA-N,"InChI=1S/C16H22O10/c1-22-8-4-7(5-9(23-2)14(8)24-3)15(21)26-16-13(20)12(19)11(18)10(6-17)25-16/h4-5,10-13,16-20H,6H2,1-3H3/t10-,11-,12+,13-,16+/m1/s1",COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,C16H22O10,pos_1_1proton1ethylamine,374.1212969039999,QRWNMJBTANFMHA,,,,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 7680,373,67,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,0.0,MS1_match,UGAGPNKCDRTDHP-UHFFFAOYSA-N,"InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)",O=C(O)CCCCCCCCCCCCCCCO,C16H32O3,pos_1_1proton1ammonium,272.235144884,UGAGPNKCDRTDHP,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,2,7.0 7681,371,273,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7682,371,273,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7683,371,273,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7684,370,2,Fatty acids,Fatty amides,Fatty aldehydes,0.0,MS1_match,AHANXAKGNAKFSK-UHFFFAOYSA-N,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)",CCC=CCC=CCC=CCCCCCCCCCC(=O)O,C20H34O2,pos_1_1proton1ethylamine,306.255880328,AHANXAKGNAKFSK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,1,8.5 7685,368,143,Fatty acids,Fatty amides,Primary amides,0.6400418,ISDB,LYRFLYHAGKPMFH-UHFFFAOYSA-N,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",CCCCCCCCCCCCCCCCCC(N)=O,C18H37NO,,283.287514804,LYRFLYHAGKPMFH,Fatty acids,Fatty amides,Primary amides,Annona glabra,209798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona glabra'],4,3,8.06016731262207 7686,367,-1,,,,0.0,MS1_match,GWQDOJFHKGUWPV-UXFCLIIPSA-N,"InChI=1S/C16H22O9/c1-6-2-3-7-8(5-23-15(22)10(6)7)14(21)25-16-13(20)12(19)11(18)9(4-17)24-16/h7-9,11-13,16-20H,2-5H2,1H3/t7-,8+,9+,11+,12-,13+,16-/m0/s1",CC1=C2C(=O)OC[C@@H](C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2CC1,C16H22O9,pos_1_1potassium,358.126382284,GWQDOJFHKGUWPV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 7687,367,-1,,,,0.0,MS1_match,UBZBPKARIHPOEC-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-13-7-9(5-6-10(13)20)12-8-11(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3",COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)ccc1O,C19H18O8,pos_1_1sodium,374.100167536,UBZBPKARIHPOEC,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Sorbus pallescens,3903574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus pallescens'],7,0,7.0 7688,366,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MWOOGOJBHIARFG-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",COc1cc(C=O)ccc1O,C8H8O3,pos_1_1proton,152.047344116,MWOOGOJBHIARFG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7689,365,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,JQVNCYNADFKYNN-LKODNMENSA-N,"InChI=1S/C25H36O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,22,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,24+,25-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(/C)CO,C25H36O3,pos_2MMg,384.266445012,JQVNCYNADFKYNN,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 7690,365,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,JQVNCYNADFKYNN-LKODNMENSA-N,"InChI=1S/C25H36O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,22,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,24+,25-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(/C)CO,C25H36O3,pos_2MMg,384.266445012,JQVNCYNADFKYNN,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 7691,365,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,MLVPRCYREVPVES-LJUDBAABSA-N,"InChI=1S/C25H36O3/c1-18(10-7-8-11-19(2)17-26)12-9-13-20(3)22-14-23-24(4,5)15-21(27)16-25(23,6)28-22/h7-14,21-22,26-27H,15-17H2,1-6H3/b8-7+,12-9+,18-10+,19-11+,20-13-/t21-,22?,25?/m0/s1",C/C(=C/C=C/C(C)=C/C=C/C=C(\C)CO)C1C=C2C(C)(C)C[C@H](O)CC2(C)O1,C25H36O3,pos_2MMg,384.266445012,MLVPRCYREVPVES,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 7692,364,114,Polyketides,Cyclic polyketides,2-pyrone derivatives,0.24213964,ISDB,JUGNVZAVZDAHMJ-UPGMHYFXSA-N,"InChI=1S/C20H36O6/c1-2-3-4-5-6-7-14(21)8-15(22)9-16(23)10-17-11-18-12-19(25-17)13-20(24)26-18/h14-19,21-23H,2-13H2,1H3/t14-,15-,16-,17-,18-,19+/m1/s1",CCCCCCC[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H]1C[C@@H]2C[C@@H](CC(=O)O2)O1,C20H36O6,,372.251188872,JUGNVZAVZDAHMJ,Polyketides,Cyclic polyketides,2-pyrone derivatives,Polyrhachis lamellidens,507108.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Formicidae'],['Camponotini'],['Polyrhachis'],['Polyrhachis lamellidens'],1,3,3.4685585498809814 7693,362,383,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1potassium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7694,362,383,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1potassium,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7695,362,383,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1potassium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 7696,362,383,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1potassium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7697,362,383,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1potassium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 7698,361,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1proton1ammonium,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 7699,361,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1proton1ammonium,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 7700,357,132,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SHZMGEYUEFSGCM-DNRYLMBSSA-N,"InChI=1S/C15H20O8/c1-6-4-8(17)7-2-3-21-14(10(6)7)23-15-13(20)12(19)11(18)9(5-16)22-15/h2-4,7,9-16,18-20H,5H2,1H3/t7-,9+,10+,11+,12-,13+,14-,15-/m0/s1",CC1=CC(=O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H20O8,pos_1_1sodium,328.1158176,SHZMGEYUEFSGCM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 7701,356,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.50745964,ISDB,WTEVQBCEXWBHNA-YFHOEESVSA-N,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-",CC(C)=CCC/C(C)=C\C=O,C10H16O,,152.120115132,WTEVQBCEXWBHNA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,12.029838562011719 7702,354,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.5178091,ISDB,WTEVQBCEXWBHNA-YFHOEESVSA-N,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-",CC(C)=CCC/C(C)=C\C=O,C10H16O,,152.120115132,WTEVQBCEXWBHNA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,12.071236371994019 7703,352,392,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1sodium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 7704,352,392,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1sodium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 7705,352,392,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 7706,352,392,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 7707,352,392,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 7708,352,392,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 7709,351,521,Shikimates and Phenylpropanoids,Sesquiterpenoids,Isocoumarins,0.5402468,ISDB,WDGGYGTUDYNFNV-HZGVNTEJSA-N,"InChI=1S/C13H18O3/c1-6-9(4)16-5-10-11(6)7(2)12(14)8(3)13(10)15/h6,9,14-15H,5H2,1-4H3/t6-,9-/m1/s1",Cc1c(O)c(C)c2c(c1O)CO[C@H](C)[C@H]2C,C13H18O3,,222.125594436,WDGGYGTUDYNFNV,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Penicillium,199764.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Unknown'],0,3,3.660987138748169 7710,349,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,pos_1_1sodium,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,1,7.5 7711,349,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,pos_1_1sodium,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,1,7.5 7712,349,72,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JQUOIYCKIVRFRH-ZZXAPCEGSA-N,"InChI=1S/C26H32O16/c27-7-16-18(31)20(33)22(35)25(41-16)39-14-4-1-10(5-13(14)30)9-38-24(37)11-2-3-12(29)15(6-11)40-26-23(36)21(34)19(32)17(8-28)42-26/h1-6,16-23,25-36H,7-9H2/t16-,17+,18-,19+,20+,21-,22-,23+,25-,26+/m1/s1",O=C(OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1)c1ccc(O)c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1,C26H32O16,pos_2_2sodium,600.169034944,JQUOIYCKIVRFRH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],7,1,7.5 7713,348,-1,,,,0.0,MS1_match,QKRKWPNZCIURPD-MRVPVSSYSA-N,"InChI=1S/C10H10N2O4/c13-4-6-1-2-7(5-14)12(6)8-3-9(15)11-10(8)16/h1-2,4,8,14H,3,5H2,(H,11,15,16)/t8-/m1/s1",O=Cc1ccc(CO)n1[C@@H]1CC(=O)NC1=O,C10H10N2O4,pos_1_1proton1methanol,222.0640568,QKRKWPNZCIURPD,Alkaloids,Proline alkaloids,Pyrrole alkaloids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 7714,347,15,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.8348341,ISDB,WHFHDVDXYKOSKI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3",C=Cc1ccc(CC)cc1,C10H12,,132.093900384,WHFHDVDXYKOSKI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia kobus,664531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kobus'],4,3,8.839336395263672 7715,346,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.58798355,ISDB,PAUIQDPAEDELMC-CKBMHYDUSA-N,"InChI=1S/C25H34O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,18,23,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10-,20-13+,21-11+/t23-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(/C)C=O)C(C)(C)C[C@H](O)C1,C25H34O2,,366.255880328,PAUIQDPAEDELMC,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,1,6.851934194564819 7716,342,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.0,MS1_match,AAWZDTNXLSGCEK-LNVDRNJUSA-N,"InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5?,7?/m1/s1",O=C(O)C1(O)C[C@@H](O)C(O)[C@H](O)C1,C7H12O6,pos_1_1proton1ammonium,192.063388104,AAWZDTNXLSGCEK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,0,7.0 7717,341,91,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.28977713,ISDB,QFDYIDGUKXRPKH-VSLGLSMXSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,42H,6-7,9,11-13,18-19,24-41H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C44H78NO8P,,779.546505086,QFDYIDGUKXRPKH,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,3.659108519554138 7718,341,91,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.28977713,ISDB,QFDYIDGUKXRPKH-VSLGLSMXSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,42H,6-7,9,11-13,18-19,24-41H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C44H78NO8P,,779.546505086,QFDYIDGUKXRPKH,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,3.659108519554138 7719,340,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ammonium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,1,6.5 7720,340,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ammonium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,1,6.5 7721,340,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,1,6.5 7722,340,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,1,6.5 7723,340,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,1,6.5 7724,340,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ammonium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,1,6.5 7725,336,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.49672464,ISDB,NIOHMVMTJUYICJ-CYBMUJFWSA-N,"InChI=1S/C14H22/c1-4-5-6-7-13(3)14-10-8-12(2)9-11-14/h4,8,10,13H,1,5-7,9,11H2,2-3H3/t13-/m1/s1",C=CCCC[C@@H](C)C1=CC=C(C)CC1,C14H22,,190.172150704,NIOHMVMTJUYICJ,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Senecio paludaffinis,6056968.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio paludaffinis'],4,3,7.4868985414505005 7726,336,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.49672464,ISDB,NIOHMVMTJUYICJ-CYBMUJFWSA-N,"InChI=1S/C14H22/c1-4-5-6-7-13(3)14-10-8-12(2)9-11-14/h4,8,10,13H,1,5-7,9,11H2,2-3H3/t13-/m1/s1",C=CCCC[C@@H](C)C1=CC=C(C)CC1,C14H22,,190.172150704,NIOHMVMTJUYICJ,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Senecio digitalifolius,7609113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio digitalifolius'],4,3,7.4868985414505005 7727,334,-1,,,,0.5610124,ISDB,XEVQXKKKAVVSMW-UHFFFAOYSA-N,"InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3",CC1(C)CC(O)CC2(C)OC(=O)C=C12,C11H16O3,,196.109944372,XEVQXKKKAVVSMW,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,0,9.244049549102783 7728,333,2,Fatty acids,Fatty amides,Fatty aldehydes,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_1proton1ammonium,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Alchemilla pentaphyllea,962789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Alchemilla'],['Alchemilla pentaphyllea'],7,1,7.5 7729,333,2,Fatty acids,Fatty amides,Fatty aldehydes,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1proton1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Alchemilla pentaphyllea,962789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Alchemilla'],['Alchemilla pentaphyllea'],7,1,7.5 7730,333,2,Fatty acids,Fatty amides,Fatty aldehydes,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_1proton1ammonium,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,1,7.5 7731,330,436,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,pos_1_1proton,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7732,329,504,,,,0.0,MS1_match,NOQYJICHFNSIFZ-DIACKHNESA-N,"InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3/t9-,10-,11+,12-,14+/m1/s1",COc1cc(O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H20O9,pos_1_1potassium,332.11073221999993,NOQYJICHFNSIFZ,,,,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 7733,329,504,,,,0.0,MS1_match,NOQYJICHFNSIFZ-DIACKHNESA-N,"InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3/t9-,10-,11+,12-,14+/m1/s1",COc1cc(O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H20O9,pos_1_1potassium,332.11073221999993,NOQYJICHFNSIFZ,,,,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 7734,322,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.22812898,ISDB,DFNMSBYEEKBETA-MMVMYLSVSA-N,"InChI=1S/C40H54O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-21,23-26,37,41H,15,22,27-28H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+/t37-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@H](O)CC2(C)C)C(C)(C)CCC1,C40H54O2,,566.412380968,DFNMSBYEEKBETA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Adonis annua,804994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis annua'],4,3,6.412515938282013 7735,321,-1,,,,0.0,MS1_match,FWHJRKHBZLMKQW-DZLOKQDQSA-N,"InChI=1S/C16H20O9/c1-25-12-6-8(2-4-9(12)18)3-5-10(19)13(21)15(23)16(24)14(22)11(20)7-17/h2-6,11,14-18,20,22-24H,7H2,1H3/b5-3+/t11-,14-,15+,16+/m1/s1",COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H20O9,pos_2MNa,356.1107322199999,FWHJRKHBZLMKQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7736,321,-1,,,,0.0,MS1_match,ADHNTNYEJYJUCU-ZSJFXSENSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-15-14(21)13(20)11(7-17)24-16(15)22/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16?/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O,C16H20O9,pos_2MNa,356.11073222,ADHNTNYEJYJUCU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 7737,320,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 7738,320,60,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 7739,318,143,Fatty acids,Fatty amides,Primary amides,0.38348183,ISDB,ZMLQVXILYPDTDA-UHFFFAOYSA-N,"InChI=1S/C15H31NO/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H2,16,17)",CC(C)CCCCCCCCCCCC(N)=O,C15H31NO,,241.240564612,ZMLQVXILYPDTDA,Fatty acids,Fatty amides,Primary amides,Bacillus pumilus,37567.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Bacillales'],['Bacillaceae'],['Unknown'],['Bacillus'],['Bacillus pumilus'],0,3,3.033927321434021 7740,317,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,MXCOJKLBLFWFNI-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)",C=C1CC23CC1CCC2C12CCCC(C)(C(=O)OC1)C2C3C(=O)O,C20H26O4,pos_2MMg,330.183109312,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 7741,317,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,MXCOJKLBLFWFNI-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)",C=C1CC23CC1CCC2C12CCCC(C)(C(=O)OC1)C2C3C(=O)O,C20H26O4,pos_2MMg,330.183109312,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 7742,314,552,Polyketides,Linear polyketides,Acetogenins,0.2289255,ISDB,LBFWHQSJIPPDSZ-UHFFFAOYSA-N,"InChI=1S/C37H66O5/c1-3-4-5-6-7-8-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h17,20,30-31,33-36,38-39H,3-16,18-19,21-29H2,1-2H3",CCCCCCCCC=CCCC(O)C1CCC(C(O)CCCCCCCCCCCCCCC2=CC(C)OC2=O)O1,C37H66O5,,590.491025212,LBFWHQSJIPPDSZ,Polyketides,Linear polyketides,Acetogenins,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,3,6.415701985359192 7743,313,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9030587,ISDB,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],6,3,11.112234830856323 7744,313,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9030587,ISDB,DLIKSSGEMUFQOK-UHFFFAOYSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2",O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21,C21H22O10,,434.1212969039999,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],6,3,11.112234830856323 7745,313,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9030587,ISDB,DLIKSSGEMUFQOK-UHFFFAOYSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2",O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21,C21H22O10,,434.1212969039999,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],6,3,11.112234830856323 7746,313,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9030587,ISDB,DLIKSSGEMUFQOK-HGAFHURDSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18-,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,,434.121296904,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,3,11.112234830856323 7747,313,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9030587,ISDB,DLIKSSGEMUFQOK-PRRLNRMFSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16-,18-,19+,20-,21-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(O)c21,C21H22O10,,434.121296904,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],6,3,11.112234830856323 7748,313,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9030587,ISDB,DLIKSSGEMUFQOK-HGAFHURDSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18-,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,,434.121296904,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,11.112234830856323 7749,313,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9030587,ISDB,DLIKSSGEMUFQOK-UHFFFAOYSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2",O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21,C21H22O10,,434.1212969039999,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,11.112234830856323 7750,313,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9030587,ISDB,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],6,3,11.112234830856323 7751,313,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9030587,ISDB,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,3,11.112234830856323 7752,313,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9030587,ISDB,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,3,11.112234830856323 7753,312,402,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,QLJNETOQFQXTLI-WMYFGKAISA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.194461844,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,1,6.5 7754,312,402,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,QLJNETOQFQXTLI-WMYFGKAISA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.194461844,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Rubus amabilis,721758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus amabilis'],6,1,6.5 7755,312,402,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,QLJNETOQFQXTLI-WMYFGKAISA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.194461844,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,1,6.5 7756,312,402,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,QLJNETOQFQXTLI-WMYFGKAISA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.194461844,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Rubus amabilis,721758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus amabilis'],6,1,6.5 7757,312,402,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,VZFVTZAODLQTMX-STMWSHLUSA-N,"InChI=1S/C24H28O11/c1-32-18-11-13(3-6-16(18)26)4-7-20(28)34-12-19-21(29)22(30)23(31)24(35-19)33-9-8-14-2-5-15(25)17(27)10-14/h2-7,10-11,19,21-27,29-31H,8-9,12H2,1H3/b7-4+/t19-,21-,22+,23-,24-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C24H28O11,pos_1_1proton1ethylamine,492.163161716,VZFVTZAODLQTMX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],6,1,6.5 7758,311,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton1methanol,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 7759,311,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton1methanol,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 7760,311,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton1methanol,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 7761,311,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_1_1proton1methanol,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 7762,311,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_1_1proton1methanol,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 7763,311,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton1methanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,3,9.5 7764,311,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1methanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 7765,311,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton1methanol,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 7766,311,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1methanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 7767,311,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1methanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 7768,311,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1methanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 7769,311,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1methanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 7770,311,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1methanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 7771,311,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton1methanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 7772,311,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1methanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 7773,311,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton1methanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 7774,309,79,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KKLWTTVTWMTNBP-KYXYLJOWSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H22O10,pos_1_1sodium,386.1212969039999,KKLWTTVTWMTNBP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,8.5 7775,309,79,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KKLWTTVTWMTNBP-KYXYLJOWSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H22O10,pos_1_1sodium,386.1212969039999,KKLWTTVTWMTNBP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,8.5 7776,308,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_2_1calcium,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,2,8.0 7777,306,315,Shikimates and Phenylpropanoids,Saccharides,Flavanones,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,3,8.5 7778,306,315,Shikimates and Phenylpropanoids,Saccharides,Flavanones,0.0,MS1_match,FKAOWOSRYSMEBS-ZDUSSCGKSA-N,"InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1",COc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,FKAOWOSRYSMEBS,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,3,8.5 7779,303,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 7780,303,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 7781,300,822,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.34382564,ISDB,IHDJYDVWNNFPHR-CPAUUISZSA-N,"InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-10,14,16H,7-8H2,1-4H3/b6-5+/t9?,10-,13-/m1/s1",CC1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H22O3,,226.156894564,IHDJYDVWNNFPHR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],5,3,7.87530255317688 7782,297,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,QZZGJDVWLFXDLK-UHFFFAOYSA-N,"InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)",CCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C24H48O2,pos_2_2proton2acetonitrile,368.3654307759999,QZZGJDVWLFXDLK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 7783,297,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,QZZGJDVWLFXDLK-UHFFFAOYSA-N,"InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)",CCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C24H48O2,pos_2_2proton2acetonitrile,368.3654307759999,QZZGJDVWLFXDLK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7784,297,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,QZZGJDVWLFXDLK-UHFFFAOYSA-N,"InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)",CCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C24H48O2,pos_2_2proton2acetonitrile,368.3654307759999,QZZGJDVWLFXDLK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 7785,296,-1,,,,0.0,MS1_match,FBKJBTAHNUQRBX-UHFFFAOYSA-N,"InChI=1S/C36H44O12/c1-13(2)25(37)22-31(43)20(11-18-28(40)16(7)35(47-9)23(33(18)45)26(38)14(3)4)30(42)21(32(22)44)12-19-29(41)17(8)36(48-10)24(34(19)46)27(39)15(5)6/h13-15,40-46H,11-12H2,1-10H3",COc1c(C)c(O)c(Cc2c(O)c(Cc3c(O)c(C)c(OC)c(C(=O)C(C)C)c3O)c(O)c(C(=O)C(C)C)c2O)c(O)c1C(=O)C(C)C,C36H44O12,pos_1_1proton,668.283276848,FBKJBTAHNUQRBX,Polyketides,Phloroglucinols,Oligomeric phloroglucinols (phlorotannins),Hagenia abyssinica,328288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Hagenia'],['Hagenia abyssinica'],6,0,6.0 7786,296,-1,,,,0.0,MS1_match,FBKJBTAHNUQRBX-UHFFFAOYSA-N,"InChI=1S/C36H44O12/c1-13(2)25(37)22-31(43)20(11-18-28(40)16(7)35(47-9)23(33(18)45)26(38)14(3)4)30(42)21(32(22)44)12-19-29(41)17(8)36(48-10)24(34(19)46)27(39)15(5)6/h13-15,40-46H,11-12H2,1-10H3",COc1c(C)c(O)c(Cc2c(O)c(Cc3c(O)c(C)c(OC)c(C(=O)C(C)C)c3O)c(O)c(C(=O)C(C)C)c2O)c(O)c1C(=O)C(C)C,C36H44O12,pos_1_1proton,668.283276848,FBKJBTAHNUQRBX,Polyketides,Phloroglucinols,Oligomeric phloroglucinols (phlorotannins),Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,6.0 7787,296,-1,,,,0.0,MS1_match,PFWJPXGNICZIQB-UHFFFAOYSA-N,"InChI=1S/C36H44O12/c1-8-11-22(37)25-31(43)20(14-18-28(40)16(4)35(47-6)26(33(18)45)23(38)12-9-2)30(42)21(32(25)44)15-19-29(41)17(5)36(48-7)27(34(19)46)24(39)13-10-3/h40-46H,8-15H2,1-7H3",CCCC(=O)c1c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)c1O,C36H44O12,pos_1_1proton,668.283276848,PFWJPXGNICZIQB,Polyketides,Phloroglucinols,Oligomeric phloroglucinols (phlorotannins),Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,6.0 7788,295,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJDUPNIPMKDXBF-GJNCRGBLSA-N,"InChI=1S/C21H30O11/c1-10(6-13(23)24)4-5-21(29)19(2)7-11(8-20(21,3)32-18(19)28)30-17-16(27)15(26)14(25)12(9-22)31-17/h4-6,11-12,14-17,22,25-27,29H,7-9H2,1-3H3,(H,23,24)/b5-4+,10-6-/t11-,12-,14-,15+,16-,17-,19-,20-,21-/m1/s1",CC(=C/C(=O)O)/C=C/[C@]1(O)[C@@]2(C)C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]1(C)C(=O)O2,C21H30O11,pos_1_1proton1ammonium,458.17881178,BJDUPNIPMKDXBF,Terpenoids,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 7789,289,419,Terpenoids,Apocarotenoids,Megastigmanes,0.5579399,ISDB,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,12.731759548187256 7790,289,419,Terpenoids,Apocarotenoids,Megastigmanes,0.5579399,ISDB,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,12.731759548187256 7791,288,-1,,,,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ammonium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 7792,288,-1,,,,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ammonium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7793,288,-1,,,,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ammonium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7794,287,182,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,NOOLISFMXDJSKH-UHFFFAOYSA-N,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",CC1CCC(C(C)C)C(O)C1,C10H20O,pos_2MHCH3CN,156.15141526,NOOLISFMXDJSKH,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 7795,287,182,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,NOOLISFMXDJSKH-UHFFFAOYSA-N,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",CC1CCC(C(C)C)C(O)C1,C10H20O,pos_2MHCH3CN,156.15141526,NOOLISFMXDJSKH,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 7796,285,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.24643882,ISDB,GBDITKZBAOCLPE-NGKWUEFESA-N,"InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-40-37(7,8)26-33(45-40)27-39(40,10)44)15-11-12-16-29(2)19-14-20-31(4)34(42)23-35(43)38(9)25-32(41)24-36(38,5)6/h11-23,32-33,41-42,44H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+,34-23-/t32-,33-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C,C40H56O5,,616.412774892,GBDITKZBAOCLPE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Crassostrea gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,2,2.9857552647590637 7797,285,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.24643882,ISDB,GBDITKZBAOCLPE-NGKWUEFESA-N,"InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-40-37(7,8)26-33(45-40)27-39(40,10)44)15-11-12-16-29(2)19-14-20-31(4)34(42)23-35(43)38(9)25-32(41)24-36(38,5)6/h11-23,32-33,41-42,44H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+,34-23-/t32-,33-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C,C40H56O5,,616.412774892,GBDITKZBAOCLPE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Magallana gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,2,2.9857552647590637 7798,283,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.0,MS1_match,KSBJAONOPKRVRR-UHFFFAOYSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CCCC(C)(C(=O)OC1)C2C3C(=O)O,C20H26O5,pos_2_1calcium,346.178023932,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,1,7.5 7799,283,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.0,MS1_match,KSBJAONOPKRVRR-UHFFFAOYSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CCCC(C)(C(=O)OC1)C2C3C(=O)O,C20H26O5,pos_2_1calcium,346.178023932,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,1,7.5 7800,281,-1,,,,0.0,MS1_match,JGUZGNYPMHHYRK-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1,C16H12O7,pos_1_1sodium,316.058302724,JGUZGNYPMHHYRK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 7801,281,-1,,,,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1sodium,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 7802,281,-1,,,,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1sodium,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 7803,281,-1,,,,0.0,MS1_match,JGUZGNYPMHHYRK-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1,C16H12O7,pos_1_1sodium,316.058302724,JGUZGNYPMHHYRK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 7804,278,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.22734909,ISDB,HGBIXAMNCHZOIR-SUFHHTCNSA-N,"InChI=1S/C26H32O14/c27-9-18-21(34)22(35)24(40-25-23(36)20(33)16(32)10-37-25)26(39-18)38-17-8-13(29)7-15(31)19(17)14(30)6-3-11-1-4-12(28)5-2-11/h1-2,4-5,7-8,16,18,20-29,31-36H,3,6,9-10H2/t16-,18-,20+,21-,22+,23-,24-,25+,26-/m1/s1",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C26H32O14,,568.179205704,HGBIXAMNCHZOIR,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,10.909396350383759 7805,275,111,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTJLOZXIIDPIFA-OUOAPTIVSA-N,"InChI=1S/C16H22O9/c1-24-13-6-9(2-4-10(13)18)3-5-14(21)25-8-12(20)16(23)15(22)11(19)7-17/h2-6,11-12,15-20,22-23H,7-8H2,1H3/b5-3+/t11-,12+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H22O9,pos_1_1proton1ethylamine,358.126382284,DTJLOZXIIDPIFA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sibiraea angustata,1004734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Sibiraea'],['Sibiraea angustata'],6,3,7.5 7806,274,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 7807,274,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 7808,274,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 7809,274,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 7810,274,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 7811,274,81,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 7812,272,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,FAMPSKZZVDUYOS-HRGUGZIWSA-N,"InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+",C/C1=C\CC/C(C)=C/CC(C)(C)/C=C/C1,C15H24,pos_1_1proton1isopropanol,204.187800768,FAMPSKZZVDUYOS,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,10.0 7813,271,222,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.3435122,ISDB,GVJHHUAWPYXKBD-IEOSBIPESA-N,"InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1",Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,C29H50O2,,430.38108084,GVJHHUAWPYXKBD,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,10.874048829078674 7814,270,2,Fatty acids,Fatty amides,Fatty aldehydes,0.75600916,ISDB,SNIUTNKNNXNVFA-UHFFFAOYSA-N,"InChI=1S/C20H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h16-19H,2-15H2,1H3,(H2,21,22)",CCCCCCCCCCCCCCCC=CC=CC(N)=O,C20H37NO,,307.287514804,SNIUTNKNNXNVFA,,,,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,0,7.024036645889282 7815,267,380,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,pos_1_1sodium,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,7.5 7816,267,380,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,pos_1_1sodium,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,7.5 7817,267,380,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,pos_1_1sodium,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus glaucus,896757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus glaucus'],6,3,7.5 7818,267,380,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,pos_1_1sodium,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,7.5 7819,267,380,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,pos_1_1sodium,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,7.5 7820,267,380,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,pos_1_1sodium,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus glaucus,896757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus glaucus'],6,3,7.5 7821,264,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FWHJRKHBZLMKQW-DZLOKQDQSA-N,"InChI=1S/C16H20O9/c1-25-12-6-8(2-4-9(12)18)3-5-10(19)13(21)15(23)16(24)14(22)11(20)7-17/h2-6,11,14-18,20,22-24H,7H2,1H3/b5-3+/t11-,14-,15+,16+/m1/s1",COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H20O9,pos_1_1proton1ammonium,356.1107322199999,FWHJRKHBZLMKQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7822,264,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ADHNTNYEJYJUCU-ZSJFXSENSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-15-14(21)13(20)11(7-17)24-16(15)22/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16?/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O,C16H20O9,pos_1_1proton1ammonium,356.11073222,ADHNTNYEJYJUCU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7823,262,-1,,,,0.0,MS1_match,ATBOMIWRCZXYSZ-XZBBILGWSA-N,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11+,18-17+",CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)CO,C40H75O10P,pos_1_minus1proton1magnesium,746.50978523,ATBOMIWRCZXYSZ,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Alchemilla pentaphyllea,962789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Alchemilla'],['Alchemilla pentaphyllea'],6,0,6.0 7824,262,-1,,,,0.0,MS1_match,ATBOMIWRCZXYSZ-XZBBILGWSA-N,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11+,18-17+",CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)CO,C40H75O10P,pos_1_minus1proton1magnesium,746.50978523,ATBOMIWRCZXYSZ,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Geum reptans,829918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum reptans'],6,0,6.0 7825,261,42,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.26657924,ISDB,IKXFGEKULKZDCJ-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8(6)9(15)5-3-7(14)12(17)18-11(5)10(4)16/h3,14-16H,1-2H2",O=C1CCc2c1c(O)c1cc(O)c(=O)oc1c2O,C12H8O6,,248.032087976,IKXFGEKULKZDCJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,3,8.566316962242126 7826,257,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Otanthus maritimus,195139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Otanthus'],['Otanthus maritimus'],4,1,6.057331204414368 7827,257,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea nana,395148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea nana'],4,1,6.057331204414368 7828,257,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,6.057331204414368 7829,257,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea maritima,869832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea maritima'],4,1,6.057331204414368 7830,257,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea formosa,4416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea formosa'],4,1,6.057331204414368 7831,257,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper formosum,6030745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper formosum'],4,1,6.057331204414368 7832,257,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Leucocyclus formosus,616330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Leucocyclus'],['Leucocyclus formosus'],4,1,6.057331204414368 7833,257,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-UHFFFAOYSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)",CCCCCC=CCCC=CC=CC(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,6.057331204414368 7834,257,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.3893328,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum petiolare,5747734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum petiolare'],4,1,6.057331204414368 7835,256,104,Shikimates and Phenylpropanoids,Peptide alkaloids,Simple phenolic acids,0.48089164,ISDB,GVSGSHGXUXLQNS-UHFFFAOYSA-N,"InChI=1S/C7H5BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H",O=Cc1cc(O)c(O)c(Br)c1,C7H5BrO3,,215.94220612,GVSGSHGXUXLQNS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Rhodomela confervoides,855466.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Rhodomela'],['Rhodomela confervoides'],2,3,5.423566579818726 7836,256,104,Shikimates and Phenylpropanoids,Peptide alkaloids,Simple phenolic acids,0.48089164,ISDB,GVSGSHGXUXLQNS-UHFFFAOYSA-N,"InChI=1S/C7H5BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H",O=Cc1cc(O)c(O)c(Br)c1,C7H5BrO3,,215.94220612,GVSGSHGXUXLQNS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Polysiphonia lanosa,359042.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Vertebrata'],['Vertebrata lanosa'],2,3,5.423566579818726 7837,256,104,Shikimates and Phenylpropanoids,Peptide alkaloids,Simple phenolic acids,0.48089164,ISDB,GVSGSHGXUXLQNS-UHFFFAOYSA-N,"InChI=1S/C7H5BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H",O=Cc1cc(O)c(O)c(Br)c1,C7H5BrO3,,215.94220612,GVSGSHGXUXLQNS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Polysiphonia stricta,670250.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Polysiphonia'],['Polysiphonia stricta'],2,3,5.423566579818726 7838,256,104,Shikimates and Phenylpropanoids,Peptide alkaloids,Simple phenolic acids,0.48089164,ISDB,GVSGSHGXUXLQNS-UHFFFAOYSA-N,"InChI=1S/C7H5BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H",O=Cc1cc(O)c(O)c(Br)c1,C7H5BrO3,,215.94220612,GVSGSHGXUXLQNS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Polysiphonia urceolata,795169.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Polysiphonia'],['Polysiphonia urceolata'],2,3,5.423566579818726 7839,256,104,Shikimates and Phenylpropanoids,Peptide alkaloids,Simple phenolic acids,0.48089164,ISDB,GVSGSHGXUXLQNS-UHFFFAOYSA-N,"InChI=1S/C7H5BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H",O=Cc1cc(O)c(O)c(Br)c1,C7H5BrO3,,215.94220612,GVSGSHGXUXLQNS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Polysiphonia morrowii,723100.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Polysiphonia'],['Polysiphonia morrowii'],2,3,5.423566579818726 7840,255,362,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7101544,ISDB,WKQNRCYKYCKESD-YVHLTTHBSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3/b7-6-,10-9-,13-12-/t25-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,8.340617656707764 7841,255,362,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7101544,ISDB,WKQNRCYKYCKESD-UHFFFAOYSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.340617656707764 7842,254,187,Terpenoids,Sesquiterpenoids,Open-chain polyketides,0.32049328,ISDB,GGEHGIPZDUKHHM-UHFFFAOYSA-N,"InChI=1S/C17H26O5/c1-9-12-11(22-15(9)19)8-16(3)6-5-7-17(4,20)14(16)13(12)21-10(2)18/h9,11-14,20H,5-8H2,1-4H3",CC(=O)OC1C2C(CC3(C)CCCC(C)(O)C13)OC(=O)C2C,C17H26O5,,310.178023932,GGEHGIPZDUKHHM,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Gonospermum ferulaceum,748953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum ferulaceum'],0,2,2.281973123550415 7843,252,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,UBZBPKARIHPOEC-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-13-7-9(5-6-10(13)20)12-8-11(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3",COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)ccc1O,C19H18O8,pos_1_1proton1methanol,374.100167536,UBZBPKARIHPOEC,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Sorbus pallescens,3903574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus pallescens'],7,3,8.5 7844,250,417,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,ODBLHEXUDAPZAU-ZAFYKAAXSA-N,"InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4+/m0/s1",O=C(O)C[C@H](C(=O)O)[C@@H](O)C(=O)O,C6H8O7,pos_1_1proton1ammonium,192.027002596,ODBLHEXUDAPZAU,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 7845,250,417,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,ODBLHEXUDAPZAU-UHFFFAOYSA-N,"InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)",O=C(O)CC(C(=O)O)C(O)C(=O)O,C6H8O7,pos_1_1proton1ammonium,192.027002596,ODBLHEXUDAPZAU,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 7846,249,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.0,MS1_match,HNEGQIOMVPPMNR-UHFFFAOYSA-N,"InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)",CC(=CC(=O)O)C(=O)O,C5H6O4,pos_1_1proton1methanol,130.026608672,HNEGQIOMVPPMNR,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,3,8.5 7847,246,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.30980343,ISDB,RLGBUTVIBWFTRW-IIEYBPOLSA-N,"InChI=1S/C27H36O3/c1-24(2)20-11-13-27-12-10-18(26(4,30)16-27)14-21(27)25(20,3)15-19(23(24)29)22(28)17-8-6-5-7-9-17/h5-10,12,18-22,28,30H,11,13-16H2,1-4H3/t18-,19+,20+,21-,22+,25+,26-,27+/m0/s1",CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H36O3,,408.266445012,RLGBUTVIBWFTRW,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,1,5.739213705062866 7848,245,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.54094756,ISDB,,,,,,,ZDBLXLQFRZTIIU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.163790225982666 7849,244,287,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ethylamine,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7850,244,287,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ethylamine,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7851,244,287,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ethylamine,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 7852,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Aplidium pliciferum,861221.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Polyclinidae'],['Unknown'],['Aplidium'],['Aplidium pliciferum'],1,3,3.3807567954063416 7853,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Styela plicata,750985.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Stolidobranchia'],['Styelidae'],['Unknown'],['Styela'],['Styela plicata'],1,3,3.3807567954063416 7854,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Pecten jacobaeus,951815.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Pectinida'],['Pectinidae'],['Pectinini'],['Pecten'],['Pecten jacobaeus'],1,3,3.3807567954063416 7855,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Aequipecten opercularis,159952.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Pectinida'],['Pectinidae'],['Unknown'],['Aequipecten'],['Aequipecten opercularis'],1,3,3.3807567954063416 7856,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Gelliodes callista,4938967.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Niphatidae'],['Unknown'],['Gelliodes'],['Gelliodes callista'],1,3,3.3807567954063416 7857,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Mytilus edulis,499751.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Mytilida'],['Mytilidae'],['Unknown'],['Mytilus'],['Mytilus edulis'],1,3,3.3807567954063416 7858,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Patiria pectinifera,977093.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Asteroidea'],['Valvatida'],['Asterinidae'],['Unknown'],['Patiria'],['Patiria pectinifera'],1,3,3.3807567954063416 7859,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Asterias amurensis,721266.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Asteroidea'],['Forcipulatida'],['Asteriidae'],['Unknown'],['Asterias'],['Asterias amurensis'],1,3,3.3807567954063416 7860,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Fusinus perplexus,2898055.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Neogastropoda'],['Fasciolariidae'],['Unknown'],['Fusinus'],['Fusinus perplexus'],1,3,3.3807567954063416 7861,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Hemiselmis virescens,801162.0,['Eukaryota'],['Unknown'],['Cryptophyceae'],['Unknown'],['Cryptomonadales'],['Unknown'],['Unknown'],['Hemiselmis'],['Hemiselmis virescens'],1,3,3.3807567954063416 7862,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rhodomonas,955642.0,['Eukaryota'],['Unknown'],['Cryptophyceae'],['Unknown'],['Cryptomonadales'],['Unknown'],['Unknown'],['Rhodomonas'],['Unknown'],1,3,3.3807567954063416 7863,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Cryptomonas ovata,249589.0,['Eukaryota'],['Unknown'],['Cryptophyceae'],['Unknown'],['Cryptomonadales'],['Unknown'],['Unknown'],['Cryptomonas'],['Cryptomonas ovata'],1,3,3.3807567954063416 7864,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-XHDZWOEKSA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m0/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Halocynthia papillosa,898219.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Stolidobranchia'],['Pyuridae'],['Unknown'],['Halocynthia'],['Halocynthia papillosa'],1,3,3.3807567954063416 7865,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Ascidia zara,872816.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Ascidiidae'],['Unknown'],['Ascidia'],['Ascidia zara'],1,3,3.3807567954063416 7866,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Didemnum moseleyi,3645143.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Didemnidae'],['Unknown'],['Didemnum'],['Didemnum moseleyi'],1,3,3.3807567954063416 7867,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Branchiostegus japonicus,599894.0,['Eukaryota'],['Metazoa'],['Chordata'],['Actinopteri'],['Acanthomorphata'],['Malacanthidae'],['Unknown'],['Branchiostegus'],['Branchiostegus japonicus'],1,3,3.3807567954063416 7868,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-XHDZWOEKSA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m0/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Pecten maximus,449048.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Pectinida'],['Pectinidae'],['Pectinini'],['Pecten'],['Pecten maximus'],1,3,3.3807567954063416 7869,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Styela clava,750983.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Stolidobranchia'],['Styelidae'],['Unknown'],['Styela'],['Styela clava'],1,3,3.3807567954063416 7870,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Ciona intestinalis,744224.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Cionidae'],['Unknown'],['Ciona'],['Ciona intestinalis'],1,3,3.3807567954063416 7871,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Botryllus schlosseri,487091.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Stolidobranchia'],['Styelidae'],['Unknown'],['Botryllus'],['Botryllus schlosseri'],1,3,3.3807567954063416 7872,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Halocynthia roretzi,672826.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Stolidobranchia'],['Pyuridae'],['Unknown'],['Halocynthia'],['Halocynthia roretzi'],1,3,3.3807567954063416 7873,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rhinogobius brunneus,238894.0,['Eukaryota'],['Metazoa'],['Chordata'],['Actinopteri'],['Acanthomorphata'],['Gobiidae'],['Unknown'],['Rhinogobius'],['Rhinogobius brunneus'],1,3,3.3807567954063416 7874,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula sandai,920655.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula sandai'],1,3,3.3807567954063416 7875,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula japonica,920654.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula japonica'],1,3,3.3807567954063416 7876,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Crassostrea gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,3.3807567954063416 7877,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Magallana gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,3.3807567954063416 7878,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Mytilus coruscus,362065.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Mytilida'],['Mytilidae'],['Unknown'],['Mytilus'],['Mytilus unguiculatus'],1,3,3.3807567954063416 7879,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Mytilus unguiculatus,362065.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Mytilida'],['Mytilidae'],['Unknown'],['Mytilus'],['Mytilus unguiculatus'],1,3,3.3807567954063416 7880,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Paralithodes brevipes,576398.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Malacostraca'],['Decapoda'],['Lithodidae'],['Unknown'],['Paralithodes'],['Paralithodes brevipes'],1,3,3.3807567954063416 7881,243,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2201892,ISDB,DVICWXUADSCSLL-DDEWRDOISA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H52O2,,564.3967309039999,DVICWXUADSCSLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Polycitor proliferus,3645665.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Polycitoridae'],['Unknown'],['Polycitor'],['Polycitor proliferus'],1,3,3.3807567954063416 7882,240,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ethylamine,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,6.0 7883,240,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ethylamine,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,6.0 7884,239,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.62799674,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,2,11.51198697090149 7885,239,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.62799674,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],8,2,11.51198697090149 7886,239,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.62799674,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],8,2,11.51198697090149 7887,239,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.62799674,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],8,2,11.51198697090149 7888,239,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.62799674,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Potentilla chrysantha,355273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla chrysantha'],8,2,11.51198697090149 7889,238,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,POIARNZEYGURDG-UHFFFAOYSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3",CC=CC(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 7890,238,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 7891,238,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 7892,238,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],6,3,7.5 7893,238,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,3,7.5 7894,238,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,3,7.5 7895,237,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.23053049,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Mytilus unguiculatus,362065.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Mytilida'],['Mytilidae'],['Unknown'],['Mytilus'],['Mytilus unguiculatus'],1,2,2.9221219420433044 7896,237,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.23053049,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Mytilus coruscus,362065.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Mytilida'],['Mytilidae'],['Unknown'],['Mytilus'],['Mytilus unguiculatus'],1,2,2.9221219420433044 7897,237,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.23053049,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Crassostrea gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,2,2.9221219420433044 7898,237,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.23053049,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Magallana gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,2,2.9221219420433044 7899,237,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.23053049,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Halocynthia roretzi,672826.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Stolidobranchia'],['Pyuridae'],['Unknown'],['Halocynthia'],['Halocynthia roretzi'],1,2,2.9221219420433044 7900,237,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.23053049,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Styela plicata,750985.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Stolidobranchia'],['Styelidae'],['Unknown'],['Styela'],['Styela plicata'],1,2,2.9221219420433044 7901,237,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.23053049,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Botryllus schlosseri,487091.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Stolidobranchia'],['Styelidae'],['Unknown'],['Botryllus'],['Botryllus schlosseri'],1,2,2.9221219420433044 7902,237,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.23053049,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Ciona intestinalis,744224.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Cionidae'],['Unknown'],['Ciona'],['Ciona intestinalis'],1,2,2.9221219420433044 7903,237,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.23053049,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Styela clava,750983.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Stolidobranchia'],['Styelidae'],['Unknown'],['Styela'],['Styela clava'],1,2,2.9221219420433044 7904,237,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.23053049,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Aplidium pliciferum,861221.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Polyclinidae'],['Unknown'],['Aplidium'],['Aplidium pliciferum'],1,2,2.9221219420433044 7905,237,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.23053049,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Mytilus edulis,499751.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Mytilida'],['Mytilidae'],['Unknown'],['Mytilus'],['Mytilus edulis'],1,2,2.9221219420433044 7906,237,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.23053049,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Asterias amurensis,721266.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Asteroidea'],['Forcipulatida'],['Asteriidae'],['Unknown'],['Asterias'],['Asterias amurensis'],1,2,2.9221219420433044 7907,237,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.23053049,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Patiria pectinifera,977093.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Asteroidea'],['Valvatida'],['Asterinidae'],['Unknown'],['Patiria'],['Patiria pectinifera'],1,2,2.9221219420433044 7908,237,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.23053049,ISDB,WSLGBPCJDUQFND-BBPSKTQQSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Fusinus perplexus,2898055.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Neogastropoda'],['Fasciolariidae'],['Unknown'],['Fusinus'],['Fusinus perplexus'],1,2,2.9221219420433044 7909,237,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.23053049,ISDB,WSLGBPCJDUQFND-ALQDXPNJSA-N,"InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13?,19-14+,28-15?,29-16+,30-18?,31-20+,36-24-",CC(C#CC1=C(C)CC(O)CC1(C)C)=CC=CC(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)C1(C)CC(O)CC1(C)C,C40H54O4,,598.402210208,WSLGBPCJDUQFND,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Mytilus californianus,1025558.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Mytilida'],['Mytilidae'],['Unknown'],['Mytilus'],['Mytilus californianus'],1,2,2.9221219420433044 7910,236,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.27151966,ISDB,,,,,,,ZYHCZHIJBQGRNF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0860786437988281 7911,235,-1,,,,0.0,MS1_match,BJDUPNIPMKDXBF-GJNCRGBLSA-N,"InChI=1S/C21H30O11/c1-10(6-13(23)24)4-5-21(29)19(2)7-11(8-20(21,3)32-18(19)28)30-17-16(27)15(26)14(25)12(9-22)31-17/h4-6,11-12,14-17,22,25-27,29H,7-9H2,1-3H3,(H,23,24)/b5-4+,10-6-/t11-,12-,14-,15+,16-,17-,19-,20-,21-/m1/s1",CC(=C/C(=O)O)/C=C/[C@]1(O)[C@@]2(C)C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]1(C)C(=O)O2,C21H30O11,pos_1_1sodium,458.17881178,BJDUPNIPMKDXBF,Terpenoids,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 7912,234,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,IKHGUXGNUITLKF-UHFFFAOYSA-N,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",CC=O,C2H4O,pos_2MHCH3CN,44.026214748,IKHGUXGNUITLKF,Fatty acids,Fatty acyls,Fatty aldehydes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 7913,234,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,IKHGUXGNUITLKF-UHFFFAOYSA-N,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",CC=O,C2H4O,pos_2MHCH3CN,44.026214748,IKHGUXGNUITLKF,Fatty acids,Fatty acyls,Fatty aldehydes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 7914,234,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,XEKOWRVHYACXOJ-UHFFFAOYSA-N,"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3",CCOC(C)=O,C4H8O2,pos_1_1proton1acetonitrile,88.052429496,XEKOWRVHYACXOJ,Fatty acids,Fatty esters,Wax monoesters,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 7915,234,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,XEKOWRVHYACXOJ-UHFFFAOYSA-N,"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3",CCOC(C)=O,C4H8O2,pos_1_1proton1acetonitrile,88.052429496,XEKOWRVHYACXOJ,Fatty acids,Fatty esters,Wax monoesters,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 7916,233,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],6,2,7.0 7917,233,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1proton,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,2,7.0 7918,233,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1proton,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Rosa chinensis var. spontanea,489296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa chinensis'],6,2,7.0 7919,233,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1proton,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,2,7.0 7920,233,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1proton,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,2,7.0 7921,233,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,VFPGPPMQCHGMCT-ITSUVCJSSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,2,7.0 7922,233,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,CNNUKFIXGVQJSF-CQQLTZKSSA-N,"InChI=1S/C21H22O9/c1-27-11-4-2-10(3-5-11)16-8-14(23)18-13(22)6-12(7-17(18)30-16)29-21-20(26)19(25)15(24)9-28-21/h2-7,15-16,19-22,24-26H,8-9H2,1H3/t15-,16-,19+,20-,21+/m1/s1",COc1ccc([C@H]2CC(=O)c3c(O)cc(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1,C21H22O9,pos_1_1proton,418.1263822839999,CNNUKFIXGVQJSF,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],6,2,7.0 7923,233,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,OVWZFLKQVPSRDZ-UHFFFAOYSA-N,"InChI=1S/C21H22O9/c1-9-18(25)19(26)20(27)21(28-9)30-16-7-12(23)6-15-17(16)13(24)8-14(29-15)10-2-4-11(22)5-3-10/h2-7,9,14,18-23,25-27H,8H2,1H3",CC1OC(Oc2cc(O)cc3c2C(=O)CC(c2ccc(O)cc2)O3)C(O)C(O)C1O,C21H22O9,pos_1_1proton,418.126382284,OVWZFLKQVPSRDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],6,2,7.0 7924,233,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spinulosa,574227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinulosa'],6,2,7.0 7925,233,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],6,2,7.0 7926,233,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],6,2,7.0 7927,233,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],6,2,7.0 7928,231,-1,,,,0.2034049,ISDB,QRHQHWQWYZIEKH-UHFFFAOYSA-N,"InChI=1S/C37H60O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h13-14,22,25,27,38,40H,6-12,15-21,23-24,26,28-29H2,1-5H3",CCCCCCCCC=CCCCCCCCC(=O)OCc1cc(OC)c(CC=C(C)CCC=C(C)C)c(O)c1CO,C37H60O5,,584.44407502,QRHQHWQWYZIEKH,Terpenoids,,,Hericium erinaceus,240840.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Hericiaceae'],['Unknown'],['Hericium'],['Hericium erinaceus'],1,0,1.813619613647461 7929,228,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,JQVNCYNADFKYNN-LKODNMENSA-N,"InChI=1S/C25H36O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,22,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,24+,25-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(/C)CO,C25H36O3,pos_2MMg,384.266445012,JQVNCYNADFKYNN,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,1,6.5 7930,228,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,JQVNCYNADFKYNN-LKODNMENSA-N,"InChI=1S/C25H36O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,22,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,24+,25-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(/C)CO,C25H36O3,pos_2MMg,384.266445012,JQVNCYNADFKYNN,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,1,6.5 7931,228,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,MLVPRCYREVPVES-LJUDBAABSA-N,"InChI=1S/C25H36O3/c1-18(10-7-8-11-19(2)17-26)12-9-13-20(3)22-14-23-24(4,5)15-21(27)16-25(23,6)28-22/h7-14,21-22,26-27H,15-17H2,1-6H3/b8-7+,12-9+,18-10+,19-11+,20-13-/t21-,22?,25?/m0/s1",C/C(=C/C=C/C(C)=C/C=C/C=C(\C)CO)C1C=C2C(C)(C)C[C@H](O)CC2(C)O1,C25H36O3,pos_2MMg,384.266445012,MLVPRCYREVPVES,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,1,6.5 7932,227,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.0,MS1_match,JAZBEHYOTPTENJ-UHFFFAOYSA-N,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O,C20H30O2,pos_1_1proton1methanol,302.2245802,JAZBEHYOTPTENJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,3,8.5 7933,224,-1,,,,0.0,MS1_match,RAXXBLUAHMNNDW-MHKXYFPYSA-N,"InChI=1S/C19H22O5/c1-9-7-18-8-10(9)11(20)6-12(18)19-5-3-4-17(2,16(23)24-19)14(19)13(18)15(21)22/h3,5,10-14,20H,1,4,6-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MH,330.146723804,RAXXBLUAHMNNDW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7934,224,-1,,,,0.0,MS1_match,UXLXLQYIDWLPKX-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,6,11-13,23H,1,4-5,7-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12C=CCC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MH,330.146723804,UXLXLQYIDWLPKX,Terpenoids,Diterpenoids,Gibberellins,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 7935,224,-1,,,,0.0,MS1_match,UXLXLQYIDWLPKX-VCBPHAENSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,6,11-13,23H,1,4-5,7-9H2,2H3,(H,20,21)/t11-,12-,13-,16+,17-,18+,19+/m1/s1",C=C1C[C@@]23C[C@@]1(O)CC[C@H]2[C@]12C=CC[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MH,330.146723804,UXLXLQYIDWLPKX,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7936,224,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MH,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7937,224,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MH,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7938,224,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MH,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus sibirica,296729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus sibirica'],8,0,8.0 7939,224,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MH,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus mandshurica,692781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mandshurica'],8,0,8.0 7940,224,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MH,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7941,224,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MH,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7942,224,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MH,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7943,224,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-KQBHUUJHSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H22O5,pos_2MH,330.1467238039999,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7944,224,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MH,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus sibirica,296729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus sibirica'],8,0,8.0 7945,224,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MH,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus mandshurica,692781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mandshurica'],8,0,8.0 7946,224,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MH,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7947,224,-1,,,,0.0,MS1_match,ZOWHLBOPCIHIHW-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)",C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O,C19H22O5,pos_2MH,330.146723804,ZOWHLBOPCIHIHW,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 7948,222,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 7949,222,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 7950,222,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 7951,222,167,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 7952,221,781,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,RQWXHGLRDYGNGZ-BPKREVGBSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_1_minus1proton1iron,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 7953,221,781,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,RQWXHGLRDYGNGZ-BPKREVGBSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_1_minus1proton1iron,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 7954,220,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.40855712,ISDB,ZTJFINKUHDHOSM-KEJCWXRGSA-N,"InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,20-21,23-27,30H,2,7,11-18H2,1,3-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1",C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)CC,C29H46O,,410.3548660919999,ZTJFINKUHDHOSM,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,1,10.134228467941284 7955,219,588,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VZFVTZAODLQTMX-STMWSHLUSA-N,"InChI=1S/C24H28O11/c1-32-18-11-13(3-6-16(18)26)4-7-20(28)34-12-19-21(29)22(30)23(31)24(35-19)33-9-8-14-2-5-15(25)17(27)10-14/h2-7,10-11,19,21-27,29-31H,8-9,12H2,1H3/b7-4+/t19-,21-,22+,23-,24-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C24H28O11,pos_1_1proton1ethylamine,492.163161716,VZFVTZAODLQTMX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 7956,216,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,UPRXEFYRIACHQZ-OMMCCPJFSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5-/t10-/m0/s1",C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 7957,216,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,1,8.5 7958,216,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 7959,216,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ammonium,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 7960,216,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ammonium,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,1,8.5 7961,216,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ammonium,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,1,8.5 7962,216,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,1,8.5 7963,216,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 7964,215,-1,,,,0.0,MS1_match,CIWBSHSKHKDKBQ-JLAZNSOCSA-N,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1",O=C1O[C@H]([C@@H](O)CO)C(O)=C1O,C6H8O6,pos_1_1proton,176.032087976,CIWBSHSKHKDKBQ,Polyketides,,,Fragaria vesca,852873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria vesca'],7,0,7.0 7965,214,-1,,,,0.0,MS1_match,FBKJBTAHNUQRBX-UHFFFAOYSA-N,"InChI=1S/C36H44O12/c1-13(2)25(37)22-31(43)20(11-18-28(40)16(7)35(47-9)23(33(18)45)26(38)14(3)4)30(42)21(32(22)44)12-19-29(41)17(8)36(48-10)24(34(19)46)27(39)15(5)6/h13-15,40-46H,11-12H2,1-10H3",COc1c(C)c(O)c(Cc2c(O)c(Cc3c(O)c(C)c(OC)c(C(=O)C(C)C)c3O)c(O)c(C(=O)C(C)C)c2O)c(O)c1C(=O)C(C)C,C36H44O12,pos_1_1proton,668.283276848,FBKJBTAHNUQRBX,Polyketides,Phloroglucinols,Oligomeric phloroglucinols (phlorotannins),Hagenia abyssinica,328288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Hagenia'],['Hagenia abyssinica'],6,0,6.0 7966,214,-1,,,,0.0,MS1_match,FBKJBTAHNUQRBX-UHFFFAOYSA-N,"InChI=1S/C36H44O12/c1-13(2)25(37)22-31(43)20(11-18-28(40)16(7)35(47-9)23(33(18)45)26(38)14(3)4)30(42)21(32(22)44)12-19-29(41)17(8)36(48-10)24(34(19)46)27(39)15(5)6/h13-15,40-46H,11-12H2,1-10H3",COc1c(C)c(O)c(Cc2c(O)c(Cc3c(O)c(C)c(OC)c(C(=O)C(C)C)c3O)c(O)c(C(=O)C(C)C)c2O)c(O)c1C(=O)C(C)C,C36H44O12,pos_1_1proton,668.283276848,FBKJBTAHNUQRBX,Polyketides,Phloroglucinols,Oligomeric phloroglucinols (phlorotannins),Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,6.0 7967,214,-1,,,,0.0,MS1_match,PFWJPXGNICZIQB-UHFFFAOYSA-N,"InChI=1S/C36H44O12/c1-8-11-22(37)25-31(43)20(14-18-28(40)16(4)35(47-6)26(33(18)45)23(38)12-9-2)30(42)21(32(25)44)15-19-29(41)17(5)36(48-7)27(34(19)46)24(39)13-10-3/h40-46H,8-15H2,1-7H3",CCCC(=O)c1c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)c1O,C36H44O12,pos_1_1proton,668.283276848,PFWJPXGNICZIQB,Polyketides,Phloroglucinols,Oligomeric phloroglucinols (phlorotannins),Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,6.0 7968,212,222,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.3435122,ISDB,GVJHHUAWPYXKBD-IEOSBIPESA-N,"InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1",Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,C29H50O2,,430.38108084,GVJHHUAWPYXKBD,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,10.874048829078674 7969,211,515,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1acetonitrile,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],6,3,7.5 7970,211,515,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1acetonitrile,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 7971,211,515,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1acetonitrile,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],6,3,7.5 7972,211,515,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1acetonitrile,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],6,3,7.5 7973,207,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.88803756,ISDB,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,13.052150249481201 7974,207,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.88803756,ISDB,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,13.052150249481201 7975,207,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.88803756,ISDB,RTATXGUCZHCSNG-ZFDPGQBLSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15-,17-,18+,20-,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H30O15,,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,13.052150249481201 7976,207,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.88803756,ISDB,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,13.052150249481201 7977,207,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.88803756,ISDB,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,13.052150249481201 7978,206,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.0,MS1_match,JAZBEHYOTPTENJ-UHFFFAOYSA-N,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O,C20H30O2,pos_1_1proton1methanol,302.2245802,JAZBEHYOTPTENJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,3,8.5 7979,205,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.41292855,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper formosum,6030745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper formosum'],4,1,6.151714205741882 7980,205,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.41292855,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum petiolare,5747734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum petiolare'],4,1,6.151714205741882 7981,205,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.41292855,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Otanthus maritimus,195139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Otanthus'],['Otanthus maritimus'],4,1,6.151714205741882 7982,205,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.41292855,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea nana,395148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea nana'],4,1,6.151714205741882 7983,205,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.41292855,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,6.151714205741882 7984,205,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.41292855,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea maritima,869832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea maritima'],4,1,6.151714205741882 7985,205,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.41292855,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea formosa,4416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea formosa'],4,1,6.151714205741882 7986,205,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.41292855,ISDB,RVYUTDKHUFWTFC-UHFFFAOYSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)",CCCCCC=CCCC=CC=CC(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,6.151714205741882 7987,205,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.41292855,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Leucocyclus formosus,616330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Leucocyclus'],['Leucocyclus formosus'],4,1,6.151714205741882 7988,204,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.22844665,ISDB,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,10.913786590099335 7989,203,321,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9368306,ISDB,FMMBDZGNMFRGMV-RKSFUGBBSA-N,"InChI=1S/C27H28O16/c1-27(39,7-17(32)33)8-18(34)40-9-16-20(35)22(37)23(38)26(42-16)43-25-21(36)19-14(31)5-11(28)6-15(19)41-24(25)10-2-3-12(29)13(30)4-10/h2-6,16,20,22-23,26,28-31,35,37-39H,7-9H2,1H3,(H,32,33)/t16-,20-,22+,23-,26+,27-/m1/s1",C[C@@](O)(CC(=O)O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C27H28O16,,608.137734816,FMMBDZGNMFRGMV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],4,3,9.24732232093811 7990,201,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,XSSDYIMYZONMBL-UHFFFAOYSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)",O=C(O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,C13H16O8,pos_1_1proton1ethylamine,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,1,7.5 7991,199,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,NVTNXPADRDASMP-PEXIWSMMSA-N,"InChI=1S/C17H30O10/c1-2-3-4-5-6-24-17-15(23)13(21)12(20)10(27-17)8-26-16-14(22)11(19)9(18)7-25-16/h3-4,9-23H,2,5-8H2,1H3/b4-3-/t9-,10-,11+,12-,13+,14-,15-,16+,17-/m1/s1",CC/C=C\CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C17H30O10,pos_1_1proton1ammonium,394.18389716,NVTNXPADRDASMP,,,,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 7992,198,697,Amino acids and Peptides,Small peptides,Aminoacids,0.6318349,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,10.027339696884155 7993,196,640,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CAENGMLSMONNBU-QLYOBGCHSA-N,"InChI=1S/C27H30O16/c1-8-23(42-27-21(37)19(35)17(33)15(7-28)41-27)20(36)22(38)26(39-8)43-25-18(34)16-13(32)5-10(29)6-14(16)40-24(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-23,26-33,35-38H,7H2,1H3/t8-,15+,17+,19-,20-,21+,22+,23-,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1sodium,610.15338488,CAENGMLSMONNBU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,3,10.5 7994,195,322,Shikimates and Phenylpropanoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,NJMQSVWMCODQIP-FQXXIRCGSA-N,"InChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1",OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319998,NJMQSVWMCODQIP,Shikimates and Phenylpropanoids,,,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],7,1,7.5 7995,195,322,Shikimates and Phenylpropanoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,NJMQSVWMCODQIP-FQXXIRCGSA-N,"InChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1",OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319998,NJMQSVWMCODQIP,Shikimates and Phenylpropanoids,,,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,1,7.5 7996,195,322,Shikimates and Phenylpropanoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,NJMQSVWMCODQIP-FQXXIRCGSA-N,"InChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1",OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319998,NJMQSVWMCODQIP,Shikimates and Phenylpropanoids,,,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],7,1,7.5 7997,195,322,Shikimates and Phenylpropanoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,NJMQSVWMCODQIP-FQXXIRCGSA-N,"InChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1",OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319998,NJMQSVWMCODQIP,Shikimates and Phenylpropanoids,,,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,1,7.5 7998,195,322,Shikimates and Phenylpropanoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,OYRNAQRKPVOICQ-JKNURMDQSA-N,"InChI=1S/C18H30O10/c1-4-25-11(12-16(28-17(12)24)9(20)5-8(2)3)7-26-18-15(23)14(22)13(21)10(6-19)27-18/h5,9-16,18-23H,4,6-7H2,1-3H3/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",CCO[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C,C18H30O10,pos_1_1proton1acetonitrile,406.1838971599999,OYRNAQRKPVOICQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,3,7.5 7999,195,322,Shikimates and Phenylpropanoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,OYRNAQRKPVOICQ-JKNURMDQSA-N,"InChI=1S/C18H30O10/c1-4-25-11(12-16(28-17(12)24)9(20)5-8(2)3)7-26-18-15(23)14(22)13(21)10(6-19)27-18/h5,9-16,18-23H,4,6-7H2,1-3H3/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",CCO[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C,C18H30O10,pos_1_1proton1acetonitrile,406.1838971599999,OYRNAQRKPVOICQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,3,7.5 8000,192,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.24368879,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,0,4.974755167961121 8001,192,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.24368879,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,0,4.974755167961121 8002,191,116,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.20465791,ISDB,KUODBSWFMJMVJV-AVFWISQGSA-N,"InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)29-27(39)26(24-20(36)8-15(32)9-23(24)40-29)25-21(37)11-18(34)16-10-22(38)28(41-30(16)25)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2/t22-,26-,27-,28+,29+/m0/s1",Oc1ccc([C@H]2Oc3cc(O)cc(O)c3[C@@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@@H](O)C4)[C@@H]2O)cc1,C30H26O11,,562.147511652,KUODBSWFMJMVJV,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],6,3,8.318631649017334 8003,189,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.21891546,ISDB,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,3,9.375661849975586 8004,189,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.21891546,ISDB,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,3,9.375661849975586 8005,188,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.0,MS1_match,FBPFZTCFMRRESA-JGWLITMVSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,C6H14O6,pos_1_1proton1ammonium,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 8006,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 8007,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 8008,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 8009,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 8010,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 8011,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 8012,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OPGYGNEESA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 8013,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OPGYGNEESA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 8014,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 8015,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 8016,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 8017,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 8018,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 8019,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 8020,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 8021,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 8022,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 8023,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 8024,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 8025,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 8026,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 8027,185,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 8028,184,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,UPRXEFYRIACHQZ-OMMCCPJFSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5-/t10-/m0/s1",C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 8029,184,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,1,8.5 8030,184,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 8031,184,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ammonium,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 8032,184,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ammonium,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,1,8.5 8033,184,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ammonium,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,1,8.5 8034,184,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,1,8.5 8035,184,139,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 8036,183,541,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,BVKOTAZOMFVYMH-XKKPCDTGSA-N,"InChI=1S/C24H33NO4/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19(26)20(27)8-9-21(28)24(17,22)23(29)25-18/h8-9,11-13,16-19,22,26H,6-7,10H2,1-5H3,(H,25,29)/b9-8+,14-11+/t16-,17+,18+,19-,22+,24-/m1/s1",CC1=C[C@@H]2/C=C(\C)CC[C@@H](O)C(=O)/C=C/C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,C24H33NO4,pos_1_minus1proton2potassium,399.240958536,BVKOTAZOMFVYMH,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],7,3,8.5 8037,180,156,Amino acids and Peptides,Small peptides,Aminoacids,0.29240388,ISDB,XWKKYVJREGXHFO-BYPYZUCNSA-N,"InChI=1S/C7H11N3O2S/c1-10-3-9-6(13)5(10)2-4(8)7(11)12/h3-4,13H,2,8H2,1H3,(H,11,12)/t4-/m0/s1",Cn1cnc(S)c1C[C@H](N)C(=O)O,C7H11N3O2S,,201.057197592,XWKKYVJREGXHFO,Amino acids and Peptides,Small peptides,Aminoacids,Evasterias troscheli,197640.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Asteroidea'],['Forcipulatida'],['Asteriidae'],['Unknown'],['Evasterias'],['Evasterias troschelii'],1,3,3.6696155071258545 8038,180,156,Amino acids and Peptides,Small peptides,Aminoacids,0.29240388,ISDB,XWKKYVJREGXHFO-BYPYZUCNSA-N,"InChI=1S/C7H11N3O2S/c1-10-3-9-6(13)5(10)2-4(8)7(11)12/h3-4,13H,2,8H2,1H3,(H,11,12)/t4-/m0/s1",Cn1cnc(S)c1C[C@H](N)C(=O)O,C7H11N3O2S,,201.057197592,XWKKYVJREGXHFO,Amino acids and Peptides,Small peptides,Aminoacids,Evasterias troschelii,197640.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Asteroidea'],['Forcipulatida'],['Asteriidae'],['Unknown'],['Evasterias'],['Evasterias troschelii'],1,3,3.6696155071258545 8039,180,156,Amino acids and Peptides,Small peptides,Aminoacids,0.29240388,ISDB,XWKKYVJREGXHFO-UHFFFAOYSA-N,"InChI=1S/C7H11N3O2S/c1-10-3-9-6(13)5(10)2-4(8)7(11)12/h3-4,13H,2,8H2,1H3,(H,11,12)",Cn1cnc(S)c1CC(N)C(=O)O,C7H11N3O2S,,201.057197592,XWKKYVJREGXHFO,Amino acids and Peptides,Small peptides,Aminoacids,Leishmania donovani,766598.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Leishmania'],['Leishmania donovani'],1,3,3.6696155071258545 8040,180,156,Amino acids and Peptides,Small peptides,Aminoacids,0.29240388,ISDB,XWKKYVJREGXHFO-UHFFFAOYSA-N,"InChI=1S/C7H11N3O2S/c1-10-3-9-6(13)5(10)2-4(8)7(11)12/h3-4,13H,2,8H2,1H3,(H,11,12)",Cn1cnc(S)c1CC(N)C(=O)O,C7H11N3O2S,,201.057197592,XWKKYVJREGXHFO,Amino acids and Peptides,Small peptides,Aminoacids,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,3.6696155071258545 8041,180,156,Amino acids and Peptides,Small peptides,Aminoacids,0.29240388,ISDB,XWKKYVJREGXHFO-UHFFFAOYSA-N,"InChI=1S/C7H11N3O2S/c1-10-3-9-6(13)5(10)2-4(8)7(11)12/h3-4,13H,2,8H2,1H3,(H,11,12)",Cn1cnc(S)c1CC(N)C(=O)O,C7H11N3O2S,,201.057197592,XWKKYVJREGXHFO,Amino acids and Peptides,Small peptides,Aminoacids,Trypanosoma cruzi,779555.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma cruzi'],1,3,3.6696155071258545 8042,180,156,Amino acids and Peptides,Small peptides,Aminoacids,0.29240388,ISDB,XWKKYVJREGXHFO-BYPYZUCNSA-N,"InChI=1S/C7H11N3O2S/c1-10-3-9-6(13)5(10)2-4(8)7(11)12/h3-4,13H,2,8H2,1H3,(H,11,12)/t4-/m0/s1",Cn1cnc(S)c1C[C@H](N)C(=O)O,C7H11N3O2S,,201.057197592,XWKKYVJREGXHFO,Amino acids and Peptides,Small peptides,Aminoacids,Platynereis dumerilii,305770.0,['Eukaryota'],['Metazoa'],['Annelida'],['Polychaeta'],['Phyllodocida'],['Nereididae'],['Unknown'],['Platynereis'],['Platynereis dumerilii'],1,3,3.6696155071258545 8043,180,156,Amino acids and Peptides,Small peptides,Aminoacids,0.29240388,ISDB,XWKKYVJREGXHFO-BYPYZUCNSA-N,"InChI=1S/C7H11N3O2S/c1-10-3-9-6(13)5(10)2-4(8)7(11)12/h3-4,13H,2,8H2,1H3,(H,11,12)/t4-/m0/s1",Cn1cnc(S)c1C[C@H](N)C(=O)O,C7H11N3O2S,,201.057197592,XWKKYVJREGXHFO,Amino acids and Peptides,Small peptides,Aminoacids,Crithidia fasciculata,192253.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Crithidia'],['Crithidia fasciculata'],1,3,3.6696155071258545 8044,179,143,Fatty acids,Fatty amides,Primary amides,0.6393173,ISDB,AMLDBWWQKYLAHJ-UHFFFAOYSA-N,"InChI=1S/C17H35NO/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-18-17(3)19/h16H,4-15H2,1-3H3,(H,18,19)",CC(=O)NCCCCCCCCCCCCC(C)C,C17H35NO,,269.27186474,AMLDBWWQKYLAHJ,Fatty acids,Fatty amides,N-acyl amines,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,2,7.557269096374512 8045,177,252,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.9137714,ISDB,YGSIRXHFAUFUEJ-UHFFFAOYSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3",Cc1occc(=O)c1OC1OC(CO)C(O)C(O)C1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Gamblea innovans,709202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Gamblea'],['Gamblea innovans'],4,3,9.155085563659668 8046,177,252,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.9137714,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,3,9.155085563659668 8047,177,252,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.9137714,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Chaerophyllum hirsutum,815187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Chaerophyllum'],['Chaerophyllum hirsutum'],4,3,9.155085563659668 8048,177,252,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.9137714,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Petrorhagia prolifera,312857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia prolifera'],4,3,9.155085563659668 8049,177,252,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.9137714,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Petrorhagia nanteuilii,5143926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia nanteuilii'],4,3,9.155085563659668 8050,177,252,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.9137714,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Helichrysum italicum,54015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum italicum'],4,3,9.155085563659668 8051,177,252,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.9137714,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Prangos uloptera,413490.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Prangos'],['Prangos uloptera'],4,3,9.155085563659668 8052,177,252,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.9137714,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Inulanthera nuda,7596867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Inulanthera'],['Inulanthera nuda'],4,3,9.155085563659668 8053,177,252,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.9137714,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Prangos tschimganica,3888519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Prangos'],['Prangos tschimganica'],4,3,9.155085563659668 8054,177,252,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.9137714,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Aeschynanthus bracteatus,154188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Gesneriaceae'],['Trichosporeae'],['Aeschynanthus'],['Aeschynanthus bracteatus'],4,3,9.155085563659668 8055,177,252,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.9137714,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Turnera diffusa,92073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Turnera'],['Turnera diffusa'],4,3,9.155085563659668 8056,176,718,Alkaloids,Pseudoalkaloids,Purine alkaloids,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,3,7.5 8057,176,718,Alkaloids,Pseudoalkaloids,Purine alkaloids,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,3,7.5 8058,175,362,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,RSKFXMDGCXLBAK-FFZDEPCBSA-N,"InChI=1S/C27H44O4/c1-17(2)13-23(29)31-22-14-19-20(30-18(3)28)15-21-24(4,5)9-8-10-26(21,7)27(19)12-11-25(22,6)16-27/h17,19-22H,8-16H2,1-7H3/t19-,20+,21+,22-,25+,26+,27+/m1/s1",CC(=O)O[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]23CC[C@@](C)(C2)[C@H](OC(=O)CC(C)C)C[C@H]13,C27H44O4,pos_1_1sodium1acetonitrile,432.323959888,RSKFXMDGCXLBAK,Terpenoids,Diterpenoids,Villanovane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 8059,173,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,1,8.5 8060,173,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 8061,173,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,1,8.5 8062,172,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 8063,172,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 8064,172,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 8065,172,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 8066,172,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 8067,171,338,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_2MNa,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 8068,171,338,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_2MNa,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 8069,171,338,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_2MNa,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 8070,171,338,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_2MNa,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 8071,171,338,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_2MNa,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 8072,171,338,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_2MNa,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 8073,170,4,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.45377335,ISDB,,,,,,,JEOZLTJHDSKQIT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8150933980941772 8074,169,362,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.70608276,ISDB,SPJFYYJXNPEZDW-FTJOPAKQSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,8.324331045150757 8075,169,362,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.70608276,ISDB,SPJFYYJXNPEZDW-UHFFFAOYSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3",CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.324331045150757 8076,168,492,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1proton,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 8077,168,492,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1proton,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 8078,168,492,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1proton,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 8079,168,492,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1proton,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 8080,168,492,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1proton,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 8081,166,515,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple coumarins,0.0,MS1_match,WPYMKLBDIGXBTP-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",O=C(O)c1ccccc1,C7H6O2,pos_1_1proton2acetonitrile,122.036779432,WPYMKLBDIGXBTP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,10.0 8082,165,107,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,DCWOIJNXHXDCKT-UHFFFAOYSA-N,"InChI=1S/C25H33NO5/c1-14(22(28)17(4)27)9-8-12-19-23(29)16(3)15(2)21-20(26-24(30)25(19,21)31)13-18-10-6-5-7-11-18/h5-8,10-12,14,17,19-21,23,27,29,31H,9,13H2,1-4H3,(H,26,30)",CC1=C(C)C2C(Cc3ccccc3)NC(=O)C2(O)C(C=CCC(C)C(=O)C(C)O)C1O,C25H33NO5,pos_1_1proton1methanol,427.235873156,DCWOIJNXHXDCKT,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],7,3,8.5 8083,165,107,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,XKLGDBFKKUIZTH-UHFFFAOYSA-N,"InChI=1S/C25H33NO5/c1-14(22(28)17(4)27)9-8-12-19-23(29)16(3)15(2)21-20(26-24(30)25(19,21)31)13-18-10-6-5-7-11-18/h5-8,10-12,14-15,17,19-21,23,27,29,31H,3,9,13H2,1-2,4H3,(H,26,30)",C=C1C(C)C2C(Cc3ccccc3)NC(=O)C2(O)C(C=CCC(C)C(=O)C(C)O)C1O,C25H33NO5,pos_1_1proton1methanol,427.235873156,XKLGDBFKKUIZTH,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],7,3,8.5 8084,165,107,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,RQWVQCYJRCZFED-UHFFFAOYSA-N,"InChI=1S/C25H33NO5/c1-14(22(28)17(4)27)9-8-12-19-23(29)16(3)15(2)21-20(26-24(30)25(19,21)31)13-18-10-6-5-7-11-18/h5-8,10-12,14,19-23,28-29,31H,9,13H2,1-4H3,(H,26,30)",CC(=O)C(O)C(C)CC=CC1C(O)C(C)=C(C)C2C(Cc3ccccc3)NC(=O)C12O,C25H33NO5,pos_1_1proton1methanol,427.235873156,RQWVQCYJRCZFED,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],7,3,8.5 8085,162,-1,,,,0.0,MS1_match,RPLIDLJMEABHAT-OLQSOZGJSA-N,"InChI=1S/C22H36O5/c1-14(24)27-13-20(3)16-6-9-21-10-15(22(26,11-21)12-23)4-5-17(21)19(16,2)8-7-18(20)25/h15-18,23,25-26H,4-13H2,1-3H3/t15-,16+,17+,18+,19-,20+,21+,22+/m1/s1",CC(=O)OC[C@@]1(C)[C@H]2CC[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CC[C@@H]1O)[C@@](O)(CO)C4,C22H36O5,pos_2MNa,380.256274252,RPLIDLJMEABHAT,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,0,6.0 8086,161,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,pos_1_1proton1ethylamine,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,1,7.5 8087,161,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,pos_1_1proton1ethylamine,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,1,7.5 8088,159,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ethylamine,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,1,6.5 8089,159,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ethylamine,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,1,6.5 8090,159,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,1,6.5 8091,159,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,1,6.5 8092,159,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,1,6.5 8093,159,99,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,1,6.5 8094,157,837,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ZLJNDEAZTHKUBC-GXDHUFHOSA-N,"InChI=1S/C40H56O8/c1-23-15-18-40(34(44)45)20-19-37(5)25(32(40)39(23,7)46)11-13-30-36(4)22-27(42)33(35(2,3)29(36)16-17-38(30,37)6)48-31(43)14-10-24-9-12-26(41)28(21-24)47-8/h9-12,14,21,23,27,29-30,32-33,41-42,46H,13,15-20,22H2,1-8H3,(H,44,45)/b14-10+",COc1cc(/C=C/C(=O)OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5C(C(=O)O)(CCC(C)C5(C)O)CCC34C)C2(C)C)ccc1O,C40H56O8,pos_2_1iron,664.397518752,ZLJNDEAZTHKUBC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 8095,156,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.0,MS1_match,FUVXBDBFUZFFSH-TUOYTUCBSA-N,"InChI=1S/C12H20O6/c1-4-6(3)11(16)18-12-10(15)9(14)8(13)7(5-2)17-12/h4,7-10,12-15H,5H2,1-3H3/b6-4+/t7-,8-,9+,10-,12+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1O[C@H](CC)[C@@H](O)[C@H](O)[C@H]1O,C12H20O6,pos_2_2proton,260.12598836,FUVXBDBFUZFFSH,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 8096,156,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.0,MS1_match,FUVXBDBFUZFFSH-TUOYTUCBSA-N,"InChI=1S/C12H20O6/c1-4-6(3)11(16)18-12-10(15)9(14)8(13)7(5-2)17-12/h4,7-10,12-15H,5H2,1-3H3/b6-4+/t7-,8-,9+,10-,12+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1O[C@H](CC)[C@@H](O)[C@H](O)[C@H]1O,C12H20O6,pos_2_2proton,260.12598836,FUVXBDBFUZFFSH,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 8097,156,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.0,MS1_match,GSLDEZOOOSBFGP-UHFFFAOYSA-N,InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H2,C=C1CCOC1=O,C5H6O2,pos_1_1proton1methanol,98.036779432,GSLDEZOOOSBFGP,Terpenoids,Monoterpenoids,,Spiraea thunbergii,882955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea thunbergii'],6,2,7.0 8098,155,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,pos_1_1proton1ethylamine,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 8099,155,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,pos_1_1proton1ethylamine,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 8100,155,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,UJRMJTIXXKZFGB-AHDKKFSPSA-N,"InChI=1S/C19H34O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12+,14+,15+,16-,17+,18+/m0/s1",CC1=C(CC[C@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1,C19H34O7,pos_1_1proton1acetonitrile,374.2304534279999,UJRMJTIXXKZFGB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 8101,155,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,UJRMJTIXXKZFGB-AHDKKFSPSA-N,"InChI=1S/C19H34O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12+,14+,15+,16-,17+,18+/m0/s1",CC1=C(CC[C@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1,C19H34O7,pos_1_1proton1acetonitrile,374.2304534279999,UJRMJTIXXKZFGB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 8102,155,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,UJRMJTIXXKZFGB-AHDKKFSPSA-N,"InChI=1S/C19H34O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12+,14+,15+,16-,17+,18+/m0/s1",CC1=C(CC[C@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1,C19H34O7,pos_1_1proton1acetonitrile,374.2304534279999,UJRMJTIXXKZFGB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 8103,155,19,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,UJRMJTIXXKZFGB-AHDKKFSPSA-N,"InChI=1S/C19H34O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12+,14+,15+,16-,17+,18+/m0/s1",CC1=C(CC[C@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1,C19H34O7,pos_1_1proton1acetonitrile,374.2304534279999,UJRMJTIXXKZFGB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 8104,152,164,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.0,MS1_match,INAXVXBDKKUCGI-UHFFFAOYSA-N,"InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3",CC1=C(O)C(=O)C(C)O1,C6H8O3,pos_1_1proton1ammonium,128.047344116,INAXVXBDKKUCGI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],6,3,7.5 8105,151,63,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.38171047,ISDB,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,12.026841878890991 8106,149,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8107,148,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ADHNTNYEJYJUCU-ZSJFXSENSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-15-14(21)13(20)11(7-17)24-16(15)22/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16?/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O,C16H20O9,pos_1_1proton1ethylamine,356.11073222,ADHNTNYEJYJUCU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8108,148,349,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FWHJRKHBZLMKQW-DZLOKQDQSA-N,"InChI=1S/C16H20O9/c1-25-12-6-8(2-4-9(12)18)3-5-10(19)13(21)15(23)16(24)14(22)11(20)7-17/h2-6,11,14-18,20,22-24H,7H2,1H3/b5-3+/t11-,14-,15+,16+/m1/s1",COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H20O9,pos_1_1proton1ethylamine,356.1107322199999,FWHJRKHBZLMKQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8109,147,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.75772744,ISDB,LTUMRKDLVGQMJU-UHFFFAOYSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3",CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,9.030909776687622 8110,146,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.39417285,ISDB,GTBFQOGSRWBGDY-UJHNSAFVSA-N,"InChI=1S/C27H34O/c1-24(2)21-11-13-27-15-14-25(3,18-27)12-10-22(27)26(21,4)17-20(23(24)28)16-19-8-6-5-7-9-19/h5-9,14-16,21-22H,10-13,17-18H2,1-4H3/b20-16+/t21-,22+,25-,26-,27+/m1/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@H]12)C3,C27H34O,,374.260965708,GTBFQOGSRWBGDY,Terpenoids,Diterpenoids,Beyerane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,1,6.076691389083862 8111,145,226,Terpenoids,Sesquiterpenoids,Fatty acyl glycosides of mono- and disaccharides,0.0,MS1_match,ZCNREQTVGGXJTO-YEEDDRBPSA-N,"InChI=1S/C18H32O10/c1-3-4-5-6-7-25-17-16(24)14(22)12(20)10(28-17)8-26-18-15(23)13(21)11(19)9(2)27-18/h4-5,9-24H,3,6-8H2,1-2H3/t9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1",CCC=CCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H32O10,pos_1_1proton1ammonium,408.199547224,ZCNREQTVGGXJTO,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 8112,143,227,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8113,139,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 8114,139,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 8115,138,138,Shikimates and Phenylpropanoids,Cyclic polyketides,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 8116,138,138,Shikimates and Phenylpropanoids,Cyclic polyketides,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 8117,138,138,Shikimates and Phenylpropanoids,Cyclic polyketides,Simple coumarins,0.0,MS1_match,CIWXNUFLRXYBQV-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-8-4-3-7-6(10(8)12)2-5-9(11)14-7/h2-5,12H,1H3",COc1ccc2oc(=O)ccc2c1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,CIWXNUFLRXYBQV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 8118,137,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.46729818,ISDB,BEYAPDNDPYAWHT-UHFFFAOYSA-N,"InChI=1S/C20H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19(2)3/h16-17,19H,4-15,18H2,1-3H3,(H,21,22)",CCCCCCCCCCCCCC=CC(=O)NCC(C)C,C20H39NO,,309.303164868,BEYAPDNDPYAWHT,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,0,5.869192719459534 8119,134,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9255285,ISDB,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,13.20211410522461 8120,134,55,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9255285,ISDB,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,13.20211410522461 8121,133,107,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,pos_1_1proton1ethylamine,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],7,0,7.0 8122,133,107,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,FRUKFIOHLWDQNH-SGUDHRSHSA-N,"InChI=1S/C22H30O6/c1-8-13(4)22(26)28-19(10-9-12(2)3)14(5)17-11-18(24)15(6)21(20(17)25)27-16(7)23/h8-9,18-19,24H,10-11H2,1-7H3/b13-8-,17-14+/t18-,19+/m1/s1",C/C=C(/C)C(=O)O[C@@H](CC=C(C)C)/C(C)=C1\C[C@@H](O)C(C)=C(OC(C)=O)C1=O,C22H30O6,pos_1_1proton1acetonitrile,390.2042386799999,FRUKFIOHLWDQNH,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 8123,133,107,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,FRUKFIOHLWDQNH-UHFFFAOYSA-N,"InChI=1S/C22H30O6/c1-8-13(4)22(26)28-19(10-9-12(2)3)14(5)17-11-18(24)15(6)21(20(17)25)27-16(7)23/h8-9,18-19,24H,10-11H2,1-7H3",CC=C(C)C(=O)OC(CC=C(C)C)C(C)=C1CC(O)C(C)=C(OC(C)=O)C1=O,C22H30O6,pos_1_1proton1acetonitrile,390.20423868,FRUKFIOHLWDQNH,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 8124,133,107,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,FRUKFIOHLWDQNH-SGUDHRSHSA-N,"InChI=1S/C22H30O6/c1-8-13(4)22(26)28-19(10-9-12(2)3)14(5)17-11-18(24)15(6)21(20(17)25)27-16(7)23/h8-9,18-19,24H,10-11H2,1-7H3/b13-8-,17-14+/t18-,19+/m1/s1",C/C=C(/C)C(=O)O[C@@H](CC=C(C)C)/C(C)=C1\C[C@@H](O)C(C)=C(OC(C)=O)C1=O,C22H30O6,pos_1_1proton1acetonitrile,390.2042386799999,FRUKFIOHLWDQNH,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 8125,133,107,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,FRUKFIOHLWDQNH-UHFFFAOYSA-N,"InChI=1S/C22H30O6/c1-8-13(4)22(26)28-19(10-9-12(2)3)14(5)17-11-18(24)15(6)21(20(17)25)27-16(7)23/h8-9,18-19,24H,10-11H2,1-7H3",CC=C(C)C(=O)OC(CC=C(C)C)C(C)=C1CC(O)C(C)=C(OC(C)=O)C1=O,C22H30O6,pos_1_1proton1acetonitrile,390.20423868,FRUKFIOHLWDQNH,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 8126,132,192,,,,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1sodium,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 8127,132,192,,,,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1sodium,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 8128,131,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DKTDHUGOEJFFSN-PJIJBLCYSA-N,"InChI=1S/C25H22O8/c26-17-3-1-11(5-21(17)30)13-7-16-15(8-19(13)28)20(29)10-23-25(16)14(9-24(32)33-23)12-2-4-18(27)22(31)6-12/h1-6,10,13-14,19,26-31H,7-9H2/t13-,14-,19-/m1/s1",O=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2C[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1,C25H22O8,pos_1_1proton,450.13146766399984,DKTDHUGOEJFFSN,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,1,7.5 8129,131,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DKTDHUGOEJFFSN-PJIJBLCYSA-N,"InChI=1S/C25H22O8/c26-17-3-1-11(5-21(17)30)13-7-16-15(8-19(13)28)20(29)10-23-25(16)14(9-24(32)33-23)12-2-4-18(27)22(31)6-12/h1-6,10,13-14,19,26-31H,7-9H2/t13-,14-,19-/m1/s1",O=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2C[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1,C25H22O8,pos_1_1proton,450.13146766399984,DKTDHUGOEJFFSN,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,1,7.5 8130,130,-1,,,,0.29711202,ISDB,DJKSRTYQAWKUME-FVLXDACASA-N,"InChI=1S/C53H82O15/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-45(56)66-41(38-63-44(55)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)39-64-52-51(62)49(60)47(58)43(68-52)40-65-53-50(61)48(59)46(57)42(37-54)67-53/h5-8,11-14,17-19,21-22,24-25,27-28,30,41-43,46-54,57-62H,3-4,9-10,15-16,20,23,26,29,31-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t41-,42+,43+,46-,47-,48-,49-,50+,51+,52+,53-/m0/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C53H82O15,,958.565371924,DJKSRTYQAWKUME,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterosigma akashiwo,427257.0,['Eukaryota'],['Unknown'],['Unknown'],['Raphidophyceae'],['Unknown'],['Unknown'],['Unknown'],['Heterosigma'],['Heterosigma akashiwo'],1,0,2.1884480714797974 8131,129,75,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,YZDQDCHESVQFNC-PQBXVMOBSA-N,"InChI=1S/C39H54O6/c1-23-12-17-39(34(43)44)19-18-37(6)28(33(39)24(23)2)9-10-30-36(5)15-14-31(35(3,4)29(36)13-16-38(30,37)7)45-32(42)11-8-25-20-26(40)22-27(41)21-25/h8-9,11,20-24,29-31,33,40-41H,10,12-19H2,1-7H3,(H,43,44)/b11-8+/t23-,24+,29+,30-,31+,33+,36+,37-,38-,39+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6cc(O)cc(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C39H54O6,pos_3_3proton,618.392039448,YZDQDCHESVQFNC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Chaenomeles japonica,852470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles japonica'],7,1,7.5 8132,129,75,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,MNUNUJQYFJZRHQ-VZLLCJDWSA-N,"InChI=1S/C39H54O6/c1-23(2)25-14-19-39(34(43)44)21-20-37(6)26(33(25)39)10-12-30-36(5)17-16-31(35(3,4)29(36)15-18-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-9,11,13,22,25-26,29-31,33,40-41H,1,10,12,14-21H2,2-7H3,(H,43,44)/b13-9+/t25-,26+,29-,30+,31-,33+,36-,37+,38+,39-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H54O6,pos_3_3proton,618.392039448,MNUNUJQYFJZRHQ,Terpenoids,Triterpenoids,Lupane triterpenoids,Pyracantha crenulata,944497.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha crenulata'],7,1,7.5 8133,127,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1sodium,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,1,6.5 8134,127,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1sodium,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,1,6.5 8135,126,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.33860794,ISDB,HSBSUGYTMJWPAX-UHFFFAOYSA-N,"InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,7,8)(H,9,10)",O=C(O)C=CCCC(=O)O,C6H8O4,,144.042258736,HSBSUGYTMJWPAX,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Lupinus angustifolius,1030433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus angustifolius'],4,3,6.854431748390198 8136,125,162,Fatty acids,Cyclic polyketides,Branched fatty acids,0.0,MS1_match,SKCKOFZKJLZSFA-BXKVDMCESA-N,"InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4-,5-,6-/m0/s1",C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO,C6H14O5,pos_1_1potassium,166.084123548,SKCKOFZKJLZSFA,Fatty acids,Fatty acyls,Fatty alcohols,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,1,8.5 8137,124,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SBBFXSBQYRSIPP-RYRLBTNJSA-N,"InChI=1S/C20H18O10/c21-7-16-17(26)18(27)20(30-16)29-15-6-10-12(24)4-9(22)5-14(10)28-19(15)8-1-2-11(23)13(25)3-8/h1-6,16-18,20-21,26-27H,7H2,(H3-,22,23,24,25)/t16-,17+,18-,20?/m1/s1",[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2O[C@H](CO)[C@H](O)[C@H]2O)ccc1O,C20H18O10,pos_1_1sodium,418.089996776,SBBFXSBQYRSIPP,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,10.0 8138,124,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KUCVMQMKRICXJC-DEYWJSPQSA-N,"InChI=1S/C20H18O10/c21-9-4-12(23)10-6-16(30-20-18(27)17(26)14(25)7-28-20)19(29-15(10)5-9)8-1-2-11(22)13(24)3-8/h1-6,14,17-18,20,25-27H,7H2,(H3-,21,22,23,24)/t14-,17-,18+,20-/m0/s1",[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)ccc1O,C20H18O10,pos_1_1sodium,418.089996776,KUCVMQMKRICXJC,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,10.0 8139,122,142,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.47432703,ISDB,NOEGNKMFWQHSLB-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2",O=Cc1ccc(CO)o1,C6H6O3,,126.031694052,NOEGNKMFWQHSLB,Polyketides,Cyclic polyketides,Furans,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],6,0,7.897308111190796 8140,121,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 8141,121,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1proton,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 8142,121,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 8143,121,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 8144,121,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1proton,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 8145,121,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 8146,120,-1,,,,0.0,MS1_match,GWQDOJFHKGUWPV-UXFCLIIPSA-N,"InChI=1S/C16H22O9/c1-6-2-3-7-8(5-23-15(22)10(6)7)14(21)25-16-13(20)12(19)11(18)9(4-17)24-16/h7-9,11-13,16-20H,2-5H2,1H3/t7-,8+,9+,11+,12-,13+,16-/m0/s1",CC1=C2C(=O)OC[C@@H](C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2CC1,C16H22O9,pos_1_1sodium,358.126382284,GWQDOJFHKGUWPV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 8147,119,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 8148,119,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 8149,119,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 8150,119,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,0,9.0 8151,119,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 8152,119,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 8153,118,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.3335517,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula sandai,920655.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula sandai'],1,3,3.8342068195343018 8154,118,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.3335517,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Crassostrea gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,3.8342068195343018 8155,118,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.3335517,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Magallana gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,3.8342068195343018 8156,118,31,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.3335517,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula japonica,920654.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula japonica'],1,3,3.8342068195343018 8157,117,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1proton1ammonium,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,1,6.5 8158,117,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1proton1ammonium,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,1,6.5 8159,114,492,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1proton,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 8160,114,492,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1proton,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 8161,114,492,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1proton,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 8162,114,492,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1proton,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 8163,114,492,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1proton,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 8164,113,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WHUUTDBJXJRKMK-VKHMYHEASA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",N[C@@H](CCC(=O)O)C(=O)O,C5H9NO4,pos_1_1proton1methanol,147.053157768,WHUUTDBJXJRKMK,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 8165,113,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJEPYKJPYRNKOW-REOHCLBHSA-N,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1",O=C(O)C[C@H](O)C(=O)O,C4H6O5,pos_1_1proton1ethylamine,134.021523292,BJEPYKJPYRNKOW,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 8166,113,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,BJEPYKJPYRNKOW-UHFFFAOYSA-N,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)",O=C(O)CC(O)C(=O)O,C4H6O5,pos_1_1proton1ethylamine,134.021523292,BJEPYKJPYRNKOW,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 8167,112,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1sodium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 8168,112,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1sodium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 8169,112,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 8170,112,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 8171,112,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 8172,112,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 8173,109,179,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 8174,109,179,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8175,109,179,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 8176,109,179,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 8177,109,179,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8178,109,179,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 8179,108,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.20885167,ISDB,CCVUOZDJPDNQPC-QJSHMTKGSA-N,"InChI=1S/C27H34O15/c1-9-3-10-4-11-5-12(37-2)6-13(16(11)20(31)17(10)25(36)39-9)40-27-24(35)22(33)19(30)15(42-27)8-38-26-23(34)21(32)18(29)14(7-28)41-26/h4-6,9,14-15,18-19,21-24,26-35H,3,7-8H2,1-2H3/t9-,14-,15-,18-,19-,21+,22+,23-,24-,26-,27-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(O)c3c(cc2c1)C[C@@H](C)OC3=O,C27H34O15,,598.189770388,CCVUOZDJPDNQPC,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Eriocaulon buergerianum,3966168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Eriocaulaceae'],['Unknown'],['Eriocaulon'],['Eriocaulon buergerianum'],4,1,5.33540666103363 8180,108,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.20885167,ISDB,CCVUOZDJPDNQPC-UHFFFAOYSA-N,"InChI=1S/C27H34O15/c1-9-3-10-4-11-5-12(37-2)6-13(16(11)20(31)17(10)25(36)39-9)40-27-24(35)22(33)19(30)15(42-27)8-38-26-23(34)21(32)18(29)14(7-28)41-26/h4-6,9,14-15,18-19,21-24,26-35H,3,7-8H2,1-2H3",COc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(O)c3c(cc2c1)CC(C)OC3=O,C27H34O15,,598.189770388,CCVUOZDJPDNQPC,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Paepalanthus vellozioides,497785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Eriocaulaceae'],['Unknown'],['Paepalanthus'],['Paepalanthus vellozioides'],4,1,5.33540666103363 8181,108,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.20885167,ISDB,CCVUOZDJPDNQPC-QJSHMTKGSA-N,"InChI=1S/C27H34O15/c1-9-3-10-4-11-5-12(37-2)6-13(16(11)20(31)17(10)25(36)39-9)40-27-24(35)22(33)19(30)15(42-27)8-38-26-23(34)21(32)18(29)14(7-28)41-26/h4-6,9,14-15,18-19,21-24,26-35H,3,7-8H2,1-2H3/t9-,14-,15-,18-,19-,21+,22+,23-,24-,26-,27-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(O)c3c(cc2c1)C[C@@H](C)OC3=O,C27H34O15,,598.189770388,CCVUOZDJPDNQPC,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Paepalanthus latipes,3965656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Eriocaulaceae'],['Unknown'],['Paepalanthus'],['Paepalanthus latipes'],4,1,5.33540666103363 8182,106,-1,,,,0.0,MS1_match,UBWUZHMCADSLDT-SOHRVHQUSA-N,"InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1",C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C21H36O8,pos_1_1proton1ammonium,416.241018112,UBWUZHMCADSLDT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 8183,105,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.39576608,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Otanthus maritimus,195139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Otanthus'],['Otanthus maritimus'],4,1,6.083064317703247 8184,105,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.39576608,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea nana,395148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea nana'],4,1,6.083064317703247 8185,105,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.39576608,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,6.083064317703247 8186,105,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.39576608,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea maritima,869832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea maritima'],4,1,6.083064317703247 8187,105,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.39576608,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea formosa,4416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea formosa'],4,1,6.083064317703247 8188,105,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.39576608,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper formosum,6030745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper formosum'],4,1,6.083064317703247 8189,105,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.39576608,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Leucocyclus formosus,616330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Leucocyclus'],['Leucocyclus formosus'],4,1,6.083064317703247 8190,105,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.39576608,ISDB,RVYUTDKHUFWTFC-UHFFFAOYSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)",CCCCCC=CCCC=CC=CC(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,6.083064317703247 8191,105,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.39576608,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum petiolare,5747734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum petiolare'],4,1,6.083064317703247 8192,104,104,Shikimates and Phenylpropanoids,Peptide alkaloids,Simple phenolic acids,0.0,MS1_match,OEHZEBOCZWCVMK-UHFFFAOYSA-N,"InChI=1S/C9H11NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-2,4-5,11H,3,6H2,(H2,10,12)",NC(=O)CCc1ccc(O)cc1,C9H11NO2,pos_1_minus1proton2potassium,165.078978592,OEHZEBOCZWCVMK,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,10.0 8193,103,392,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,GEEFIZNKWFRPBI-KIRITSJKSA-N,"InChI=1S/C15H20O7/c1-8(6-10(17)18)4-5-15(21)13(2)7-9(16)11(19)14(15,3)12(20)22-13/h4-6,9,11,16,19,21H,7H2,1-3H3,(H,17,18)/b5-4+,8-6-/t9-,11+,13+,14+,15-/m0/s1",CC(=C/C(=O)O)/C=C/[C@]1(O)[C@@]2(C)C[C@H](O)[C@@H](O)[C@]1(C)C(=O)O2,C15H20O7,pos_1_1proton1isopropanol,312.12090298,GEEFIZNKWFRPBI,Terpenoids,Sesquiterpenoids,Cyclofarnesane sesquiterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,1,6.5 8194,102,383,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1potassium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8195,102,383,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1potassium,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8196,102,383,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1potassium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 8197,102,383,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1potassium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8198,102,383,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1potassium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 8199,101,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.27381936,ISDB,NSOPGAYUGBZWHL-YTWBPVBXSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,2,6.095277428627014 8200,101,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.27381936,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,2,6.095277428627014 8201,101,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.27381936,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Angelica sinensis,182228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica sinensis'],4,2,6.095277428627014 8202,100,176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96629745,ISDB,RNVUDWOQYYWXBJ-IEGSVRCHSA-N,"InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C20H18O10,,418.089996776,RNVUDWOQYYWXBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa chinensis,1054817.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa chinensis'],6,3,11.365189790725708 8203,100,176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96629745,ISDB,RNVUDWOQYYWXBJ-BWYUNELBSA-N,"InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15+,17-,20+/m1/s1",O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C20H18O10,,418.0899967759999,RNVUDWOQYYWXBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,11.365189790725708 8204,100,176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96629745,ISDB,RNVUDWOQYYWXBJ-BWYUNELBSA-N,"InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15+,17-,20+/m1/s1",O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C20H18O10,,418.0899967759999,RNVUDWOQYYWXBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,11.365189790725708 8205,100,176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96629745,ISDB,RNVUDWOQYYWXBJ-IEGSVRCHSA-N,"InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C20H18O10,,418.089996776,RNVUDWOQYYWXBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa,259066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Unknown'],6,3,11.365189790725708 8206,100,176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96629745,ISDB,RNVUDWOQYYWXBJ-BWYUNELBSA-N,"InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15+,17-,20+/m1/s1",O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C20H18O10,,418.0899967759999,RNVUDWOQYYWXBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus ulmifolius,618036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ulmifolius'],6,3,11.365189790725708 8207,99,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,OEHZEBOCZWCVMK-UHFFFAOYSA-N,"InChI=1S/C9H11NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-2,4-5,11H,3,6H2,(H2,10,12)",NC(=O)CCc1ccc(O)cc1,C9H11NO2,pos_1_1proton,165.078978592,OEHZEBOCZWCVMK,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 8208,99,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,WBYWAXJHAXSJNI-VOTSOKGWSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",O=C(O)/C=C/c1ccccc1,C9H8O2,pos_1_1proton1ammonium,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 8209,96,2,Fatty acids,Fatty amides,Fatty aldehydes,0.7999018,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,2,8.199607133865356 8210,93,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WQZGKKKJIJFFOK-UHFFFAOYSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2",OCC1OC(O)C(O)C(O)C1O,C6H12O6,pos_1_1proton1ammonium,180.063388104,WQZGKKKJIJFFOK,Carbohydrates,Saccharides,Disaccharides,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 8211,93,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WQZGKKKJIJFFOK-GASJEMHNSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1",OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_1_1proton1ammonium,180.063388104,WQZGKKKJIJFFOK,Carbohydrates,Saccharides,Disaccharides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 8212,93,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WQZGKKKJIJFFOK-GASJEMHNSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1",OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_1_1proton1ammonium,180.063388104,WQZGKKKJIJFFOK,Carbohydrates,Saccharides,Disaccharides,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,3,9.5 8213,93,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WQZGKKKJIJFFOK-PQMKYFCFSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1",OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_1_1proton1ammonium,180.063388104,WQZGKKKJIJFFOK,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 8214,93,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WQZGKKKJIJFFOK-VFUOTHLCSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1",OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_1_1proton1ammonium,180.063388104,WQZGKKKJIJFFOK,Carbohydrates,Saccharides,Disaccharides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 8215,93,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,WQZGKKKJIJFFOK-UHFFFAOYSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2",OCC1OC(O)C(O)C(O)C1O,C6H12O6,pos_1_1proton1ammonium,180.063388104,WQZGKKKJIJFFOK,Carbohydrates,Saccharides,Disaccharides,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 8216,92,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1sodium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],6,3,7.5 8217,92,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1sodium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 8218,92,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1sodium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 8219,91,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9676539,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,11.370615482330322 8220,91,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9676539,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,11.370615482330322 8221,91,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9676539,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus glaucus,896757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus glaucus'],6,3,11.370615482330322 8222,89,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.25191537,ISDB,GUBGYTABKSRVRQ-ASMJPISFSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,8.50766146183014 8223,89,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.25191537,ISDB,GUBGYTABKSRVRQ-WFVLMXAXSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,C12H22O11,,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,8.50766146183014 8224,88,45,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8225,86,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 8226,86,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ammonium,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,1,8.5 8227,86,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ammonium,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,1,8.5 8228,86,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ammonium,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 8229,86,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,1,8.5 8230,86,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,UPRXEFYRIACHQZ-OMMCCPJFSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5-/t10-/m0/s1",C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 8231,86,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,1,8.5 8232,86,40,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,HFRZSVYKDDZRQY-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+",CC(=O)/C=C/C1=C(C)CC(O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,HFRZSVYKDDZRQY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 8233,84,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.31416738,ISDB,KCYOZNARADAZIZ-GZIUEBSLSA-N,"InChI=1S/C40H56O3/c1-28(18-13-20-30(3)33-24-35-37(5,6)22-15-23-39(35,9)42-33)16-11-12-17-29(2)19-14-21-31(4)34-25-36-38(7,8)26-32(41)27-40(36,10)43-34/h11-14,16-21,24-25,32-34,41H,15,22-23,26-27H2,1-10H3/b12-11+,18-13+,19-14+,28-16+,29-17+,30-20+,31-21+/t32-,33+,34+,39-,40+/m1/s1",CC(/C=C/C=C(\C)[C@@H]1C=C2C(C)(C)CCC[C@@]2(C)O1)=C\C=C\C=C(C)\C=C\C=C(/C)[C@@H]1C=C2C(C)(C)C[C@@H](O)C[C@]2(C)O1,C40H56O3,,584.422945652,KCYOZNARADAZIZ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,10.756669521331787 8234,83,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,CRDAMVZIKSXKFV-UHFFFAOYSA-N,"InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3",CC(C)=CCCC(C)=CCCC(C)=CCO,C15H26O,pos_1_1proton1ethylamine,222.198365452,CRDAMVZIKSXKFV,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,1,8.5 8235,81,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.30591655,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],4,3,6.723666191101074 8236,81,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.30591655,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,6.723666191101074 8237,81,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.30591655,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,6.723666191101074 8238,81,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.30591655,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rorippa indica,341724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Rorippa'],['Rorippa indica'],4,3,6.723666191101074 8239,81,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.30591655,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Swertia japonica,774409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Swertia'],['Swertia japonica'],4,3,6.723666191101074 8240,81,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.30591655,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,6.723666191101074 8241,81,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.30591655,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,6.723666191101074 8242,81,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.30591655,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Adonis aleppica,6130911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aleppica'],4,3,6.723666191101074 8243,81,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.30591655,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Raphanus raphanistrum,376999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus raphanistrum'],4,3,6.723666191101074 8244,81,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.30591655,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Bunias orientalis,19452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Buniadeae'],['Bunias'],['Bunias orientalis'],4,3,6.723666191101074 8245,81,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.30591655,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rheum rhaponticum,287577.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Rumiceae'],['Rheum'],['Rheum rhaponticum'],4,3,6.723666191101074 8246,81,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.30591655,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rheum rhabarbarum,693832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Rumiceae'],['Rheum'],['Rheum rhabarbarum'],4,3,6.723666191101074 8247,80,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_1proton,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 8248,80,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_1proton,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 8249,78,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.32641208,ISDB,NSOPGAYUGBZWHL-YTWBPVBXSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,2,6.305648326873779 8250,78,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.32641208,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,2,6.305648326873779 8251,78,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.32641208,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Angelica sinensis,182228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica sinensis'],4,2,6.305648326873779 8252,76,89,Shikimates and Phenylpropanoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XOFDOXJFXCEFDE-CYBMUJFWSA-N,"InChI=1S/C13H18/c1-10-6-7-11-12(2,3)8-5-9-13(10,11)4/h5-7,9H,8H2,1-4H3/t13-/m1/s1",CC1=CC=C2C(C)(C)CC=C[C@]12C,C13H18,pos_1_minus1proton2potassium,174.140850576,XOFDOXJFXCEFDE,Terpenoids,Monoterpenoids,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,2,8.0 8253,73,2,Fatty acids,Fatty amides,Fatty aldehydes,0.81650704,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,2,8.26602816581726 8254,72,296,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.64314026,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,2,12.572561025619507 8255,68,-1,,,,0.32913658,ISDB,XGWIBNWDLMIPNF-UHFFFAOYSA-N,"InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14)",N=c1nc(O)c2nc(CO)cnc2[nH]1,C7H7N5O2,,193.059974464,XGWIBNWDLMIPNF,Alkaloids,Pseudoalkaloids,pteridine alkaloids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,5.316546320915222 8256,66,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8257,65,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.2754138,ISDB,XEMZJOMDKONECD-RESWYYLGSA-N,"InChI=1S/C30H46O2/c1-18(2)19-11-13-27(5)15-16-28(6)20(25(19)27)9-10-22-29(28,7)14-12-21-26(3,4)23(31)17-24(32)30(21,22)8/h19-22,25H,1,9-17H2,2-8H3/t19-,20+,21-,22-,25+,27+,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C(=O)CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O2,,438.349780712,XEMZJOMDKONECD,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus puberus,351500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion puberum'],4,3,6.6016552448272705 8258,65,333,Terpenoids,Triterpenoids,Lupane triterpenoids,0.2754138,ISDB,XEMZJOMDKONECD-RESWYYLGSA-N,"InChI=1S/C30H46O2/c1-18(2)19-11-13-27(5)15-16-28(6)20(25(19)27)9-10-22-29(28,7)14-12-21-26(3,4)23(31)17-24(32)30(21,22)8/h19-22,25H,1,9-17H2,2-8H3/t19-,20+,21-,22-,25+,27+,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C(=O)CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O2,,438.349780712,XEMZJOMDKONECD,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion puberum,351500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion puberum'],4,3,6.6016552448272705 8259,63,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.40736252,ISDB,HQPQTQQUHPFUOA-ZCPYHVQDSA-N,"InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+/t25-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)C(C)(C)C[C@H](O)C1,C27H36O2,,392.271530392,HQPQTQQUHPFUOA,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,1,6.129450082778931 8260,60,177,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1proton1ethylamine,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8261,60,177,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ethylamine,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 8262,60,177,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton1ethylamine,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8263,60,177,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton1ethylamine,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8264,60,177,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ethylamine,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 8265,59,355,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1sodium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,3,7.5 8266,59,355,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1sodium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,3,7.5 8267,58,6,Amino acids and Peptides,Small peptides,Aminoacids,0.80006593,ISDB,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,10.700263738632202 8268,58,6,Amino acids and Peptides,Small peptides,Aminoacids,0.80006593,ISDB,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,10.700263738632202 8269,57,520,Amino acids and Peptides,Small peptides,Tripeptides,0.88984513,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Allium sativum,748370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium sativum'],4,3,9.059380531311035 8270,57,520,Amino acids and Peptides,Small peptides,Tripeptides,0.88984513,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,9.059380531311035 8271,57,520,Amino acids and Peptides,Small peptides,Tripeptides,0.88984513,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Aloe africana,138839.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe africana'],4,3,9.059380531311035 8272,57,520,Amino acids and Peptides,Small peptides,Tripeptides,0.88984513,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],4,3,9.059380531311035 8273,57,520,Amino acids and Peptides,Small peptides,Tripeptides,0.88984513,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Cucurbita pepo,379282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Cucurbiteae'],['Cucurbita'],['Cucurbita pepo'],4,3,9.059380531311035 8274,57,520,Amino acids and Peptides,Small peptides,Tripeptides,0.88984513,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,9.059380531311035 8275,57,520,Amino acids and Peptides,Small peptides,Tripeptides,0.88984513,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Cucumis sativus,1006246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Benincaseae'],['Cucumis'],['Cucumis sativus'],4,3,9.059380531311035 8276,57,520,Amino acids and Peptides,Small peptides,Tripeptides,0.88984513,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,3,9.059380531311035 8277,57,520,Amino acids and Peptides,Small peptides,Tripeptides,0.88984513,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,3,9.059380531311035 8278,57,520,Amino acids and Peptides,Small peptides,Tripeptides,0.88984513,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Spinacia oleracea,317784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Anserineae'],['Spinacia'],['Spinacia oleracea'],4,3,9.059380531311035 8279,57,520,Amino acids and Peptides,Small peptides,Tripeptides,0.88984513,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Allium cepa,781600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium cepa'],4,3,9.059380531311035 8280,57,520,Amino acids and Peptides,Small peptides,Tripeptides,0.88984513,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],4,3,9.059380531311035 8281,57,520,Amino acids and Peptides,Small peptides,Tripeptides,0.88984513,ISDB,RWSXRVCMGQZWBV-UHFFFAOYSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)",NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Rauvolfia serpentina,1050238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Rauvolfia'],['Rauvolfia serpentina'],4,3,9.059380531311035 8282,57,520,Amino acids and Peptides,Small peptides,Tripeptides,0.88984513,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,9.059380531311035 8283,57,520,Amino acids and Peptides,Small peptides,Tripeptides,0.88984513,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,9.059380531311035 8284,57,520,Amino acids and Peptides,Small peptides,Tripeptides,0.88984513,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Ardisia crenata,776705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia crenata'],4,3,9.059380531311035 8285,57,520,Amino acids and Peptides,Small peptides,Tripeptides,0.88984513,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Psychotria punctata,171145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Psychotrieae'],['Psychotria'],['Psychotria punctata'],4,3,9.059380531311035 8286,56,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HMUJXQRRKBLVOO-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1,C16H14O5,pos_1_1proton1dmso,286.084123548,HMUJXQRRKBLVOO,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],6,1,6.5 8287,56,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HMUJXQRRKBLVOO-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1,C16H14O5,pos_1_1proton1dmso,286.084123548,HMUJXQRRKBLVOO,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],6,1,6.5 8288,56,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HMUJXQRRKBLVOO-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1,C16H14O5,pos_1_1proton1dmso,286.084123548,HMUJXQRRKBLVOO,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,1,6.5 8289,56,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HMUJXQRRKBLVOO-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1,C16H14O5,pos_1_1proton1dmso,286.084123548,HMUJXQRRKBLVOO,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,1,6.5 8290,56,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HMUJXQRRKBLVOO-CQSZACIVSA-N,"InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m1/s1",COc1ccc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1,C16H14O5,pos_1_1proton1dmso,286.084123548,HMUJXQRRKBLVOO,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,1,6.5 8291,56,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DJOJDHGQRNZXQQ-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3",COc1cc(O)c2c(c1)OC(c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus pseudocerasus,821180.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus pseudocerasus'],6,1,6.5 8292,56,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DJOJDHGQRNZXQQ-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3",COc1cc(O)c2c(c1)OC(c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,1,6.5 8293,56,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,1,6.5 8294,56,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,1,6.5 8295,56,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],6,1,6.5 8296,56,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],6,1,6.5 8297,56,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,1,6.5 8298,56,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FKAOWOSRYSMEBS-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3",COc1c(O)cc(O)c2c1OC(c1ccccc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,FKAOWOSRYSMEBS,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Adenostoma sparsifolium,833577.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sorbarieae'],['Adenostoma'],['Adenostoma sparsifolium'],6,1,6.5 8299,56,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FKAOWOSRYSMEBS-ZDUSSCGKSA-N,"InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1",COc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,FKAOWOSRYSMEBS,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,1,6.5 8300,56,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FKAOWOSRYSMEBS-ZDUSSCGKSA-N,"InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1",COc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,FKAOWOSRYSMEBS,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,1,6.5 8301,56,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DJOJDHGQRNZXQQ-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3",COc1cc(O)c2c(c1)OC(c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,1,6.5 8302,56,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FKAOWOSRYSMEBS-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3",COc1c(O)cc(O)c2c1OC(c1ccccc1)CC2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,FKAOWOSRYSMEBS,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,1,6.5 8303,56,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QUAPPCXFYKSDSV-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-6,8,12,18-19H,7H2,1H3",COc1c(O)cc2c(c1O)C(=O)CC(c1ccccc1)O2,C16H14O5,pos_1_1proton1dmso,286.08412354800004,QUAPPCXFYKSDSV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Adenostoma sparsifolium,833577.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sorbarieae'],['Adenostoma'],['Adenostoma sparsifolium'],6,1,6.5 8304,55,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 8305,55,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-WVXKDWSHSA-O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O,C21H21O11+,pos_1_1sodium,449.10783791208985,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 8306,55,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 8307,52,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.5760911,ISDB,QGXJTDHPWUQRFT-UHFFFAOYSA-N,"InChI=1S/C6H8O3/c1-6(5(7)8)3-2-4-9-6/h2,4H,3H2,1H3,(H,7,8)",CC1(C(=O)O)CC=CO1,C6H8O3,,128.047344116,QGXJTDHPWUQRFT,Terpenoids,Monoterpenoids,,Tamarindus indica,812370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Tamarindus'],['Tamarindus indica'],4,2,7.304364442825317 8308,50,244,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8309,50,244,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 8310,50,244,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 8311,50,244,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1proton1ammonium,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8312,50,244,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8313,49,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SOSLMHZOJATCCP-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3",CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O10,pos_1_1proton,432.10564684,SOSLMHZOJATCCP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8314,49,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SOSLMHZOJATCCP-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3",CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O10,pos_1_1proton,432.10564684,SOSLMHZOJATCCP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8315,48,34,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.29783544,ISDB,BMQNSHDVIYZULR-FZJJXLMSSA-N,"InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-26,36,41H,27-29H2,1-10H3/b12-11+,18-13-,19-14-,25-23+,26-24+,30-16+,31-17+,32-20-,33-21-",CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)/C=C/C2=C(C)CC(O)CC2(C)C)C(C)(C)CC=C1,C40H54O,,550.417466348,BMQNSHDVIYZULR,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],4,3,6.691341757774353 8316,47,227,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8317,46,6,Amino acids and Peptides,Small peptides,Aminoacids,0.21033722,ISDB,RKMQRPYLPSKVNS-UHFFFAOYSA-N,"InChI=1S/C6H10O4/c1-10-6(9)3-2-5(8)4-7/h7H,2-4H2,1H3",COC(=O)CCC(=O)CO,C6H10O4,,146.0579088,RKMQRPYLPSKVNS,Fatty acids,Fatty Acids and Conjugates,,Drymaria cordata,182465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Polycarpaeae'],['Drymaria'],['Drymaria cordata'],4,0,4.841348886489868 8318,46,6,Amino acids and Peptides,Small peptides,Aminoacids,0.21033722,ISDB,RKMQRPYLPSKVNS-UHFFFAOYSA-N,"InChI=1S/C6H10O4/c1-10-6(9)3-2-5(8)4-7/h7H,2-4H2,1H3",COC(=O)CCC(=O)CO,C6H10O4,,146.0579088,RKMQRPYLPSKVNS,Fatty acids,Fatty Acids and Conjugates,,Drymaria diandra,182465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Polycarpaeae'],['Drymaria'],['Drymaria cordata'],4,0,4.841348886489868 8319,46,6,Amino acids and Peptides,Small peptides,Aminoacids,0.21033722,ISDB,RKMQRPYLPSKVNS-UHFFFAOYSA-N,"InChI=1S/C6H10O4/c1-10-6(9)3-2-5(8)4-7/h7H,2-4H2,1H3",COC(=O)CCC(=O)CO,C6H10O4,,146.0579088,RKMQRPYLPSKVNS,Fatty acids,Fatty Acids and Conjugates,,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],4,0,4.841348886489868 8320,43,143,Fatty acids,Fatty amides,Primary amides,0.65192896,ISDB,LYRFLYHAGKPMFH-UHFFFAOYSA-N,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",CCCCCCCCCCCCCCCCCC(N)=O,C18H37NO,,283.287514804,LYRFLYHAGKPMFH,Fatty acids,Fatty amides,Primary amides,Annona glabra,209798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona glabra'],4,3,8.107715845108032 8321,42,77,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 8322,42,77,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 8323,41,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ODHCTXKNWHHXJC-GSVOUGTGSA-N,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1",O=C1CC[C@H](C(=O)O)N1,C5H7NO3,pos_1_1proton,129.042593084,ODHCTXKNWHHXJC,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 8324,40,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.3396459,ISDB,JPLATTLXZFUKRQ-UVMZSPEXSA-N,"InChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2/t4-,5+,6+,7-,8-,9+,10+,11-,12-/m0/s1",O=C[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C12H20O10,,324.10564684,JPLATTLXZFUKRQ,Carbohydrates,Saccharides,Disaccharides,Chondrus ocellatus,372375.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Chondrus'],['Chondrus ocellatus'],2,3,4.858583569526672 8325,40,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.3396459,ISDB,JPLATTLXZFUKRQ-AWXGPMDLSA-N,"InChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2/t4-,5+,6-,7+,8+,9-,10+,11-,12+/m1/s1",O=C[C@@H](O)[C@@H]1OC[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C12H20O10,,324.10564684,JPLATTLXZFUKRQ,Carbohydrates,Saccharides,Disaccharides,Gloiopeltis furcata,275661.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Gloiopeltis'],['Gloiopeltis furcata'],2,3,4.858583569526672 8326,40,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.3396459,ISDB,JPLATTLXZFUKRQ-UHFFFAOYSA-N,"InChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2",O=CC(O)C1OCC(O)C1OC1OC(CO)C(O)C(O)C1O,C12H20O10,,324.10564684,JPLATTLXZFUKRQ,Carbohydrates,Saccharides,Disaccharides,Pterocladiella tenuis,182322.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Pterocladiella'],['Pterocladiella tenuis'],2,3,4.858583569526672 8327,39,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CAENGMLSMONNBU-QLYOBGCHSA-N,"InChI=1S/C27H30O16/c1-8-23(42-27-21(37)19(35)17(33)15(7-28)41-27)20(36)22(38)26(39-8)43-25-18(34)16-13(32)5-10(29)6-14(16)40-24(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-23,26-33,35-38H,7H2,1H3/t8-,15+,17+,19-,20-,21+,22+,23-,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,CAENGMLSMONNBU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],9,3,10.5 8328,39,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8329,39,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8330,38,340,Amino acids and Peptides,Small peptides,Aminoacids,0.90617025,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,14.124680995941162 8331,35,431,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,FWHJRKHBZLMKQW-DZLOKQDQSA-N,"InChI=1S/C16H20O9/c1-25-12-6-8(2-4-9(12)18)3-5-10(19)13(21)15(23)16(24)14(22)11(20)7-17/h2-6,11,14-18,20,22-24H,7H2,1H3/b5-3+/t11-,14-,15+,16+/m1/s1",COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H20O9,pos_1_1sodium,356.1107322199999,FWHJRKHBZLMKQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 8332,35,431,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,ADHNTNYEJYJUCU-ZSJFXSENSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-15-14(21)13(20)11(7-17)24-16(15)22/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16?/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O,C16H20O9,pos_1_1sodium,356.11073222,ADHNTNYEJYJUCU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,1,9.5 8333,33,6,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,WHUUTDBJXJRKMK-VKHMYHEASA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",N[C@@H](CCC(=O)O)C(=O)O,C5H9NO4,pos_1_1proton,147.053157768,WHUUTDBJXJRKMK,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 8334,32,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CJBIGGJNXVLZLI-UHFFFAOYSA-N,"InChI=1S/C20H18O11/c21-6-13(26)17(28)14(27)7-30-20-18(29)16-12(25)4-9(22)5-15(16)31-19(20)8-1-2-10(23)11(24)3-8/h1-6,13-14,17,22-28H,7H2",O=CC(O)C(O)C(O)COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O,C20H18O11,pos_1_1sodium,434.084911396,CJBIGGJNXVLZLI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8335,32,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PZZRDJXEMZMZFD-IEGSVRCHSA-N,"InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1sodium,434.0849113959998,PZZRDJXEMZMZFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8336,32,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BDCDNTVZSILEOY-UXYNSRGZSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1sodium,434.0849113959998,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8337,32,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BDCDNTVZSILEOY-UXYNSRGZSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1sodium,434.0849113959998,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8338,32,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PZZRDJXEMZMZFD-IEGSVRCHSA-N,"InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1sodium,434.0849113959998,PZZRDJXEMZMZFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8339,32,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PZZRDJXEMZMZFD-IEGSVRCHSA-N,"InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1sodium,434.0849113959998,PZZRDJXEMZMZFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8340,30,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 8341,30,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 8342,30,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 8343,30,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 8344,30,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 8345,30,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 8346,29,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.0,MS1_match,JFCQEDHGNNZCLN-UHFFFAOYSA-N,"InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)",O=C(O)CCCC(=O)O,C5H8O4,pos_1_1proton1methanol,132.042258736,JFCQEDHGNNZCLN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],6,3,7.5 8347,28,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-UHFFFAOYSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O,C21H24O10,pos_1_1sodium,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 8348,28,-1,,,,0.0,MS1_match,ZQRNNAMGDDNHND-OYQCXUJZSA-N,"InChI=1S/C21H24O10/c22-8-17-18(26)19(27)20(28)21(31-17)30-16-7-10(23)6-15-11(16)2-4-14(29-15)9-1-3-12(24)13(25)5-9/h1,3,5-7,14,17-28H,2,4,8H2/t14-,17+,18+,19-,20+,21+/m0/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc3c2CC[C@@H](c2ccc(O)c(O)c2)O3)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O10,pos_1_1sodium,436.136946968,ZQRNNAMGDDNHND,Shikimates and Phenylpropanoids,Flavonoids,Flavans,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 8349,28,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-UHFFFAOYSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O,C21H24O10,pos_1_1sodium,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 8350,28,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-UHFFFAOYSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O,C21H24O10,pos_1_1sodium,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 8351,26,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 8352,26,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 8353,26,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 8354,26,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 8355,26,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 8356,26,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 8357,26,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 8358,26,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 8359,26,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 8360,26,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 8361,26,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,3,9.5 8362,26,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 8363,26,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_1_1proton,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 8364,26,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 8365,26,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_1_1proton,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 8366,26,18,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 8367,23,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7967745,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,13.687098026275635 8368,22,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 8369,22,119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 8370,21,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,2,7.0 8371,21,76,Fatty acids,Glycerolipids,Unsaturated fatty acids,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,2,7.0 8372,19,143,Fatty acids,Fatty amides,Primary amides,0.58334976,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],5,3,8.833399057388306 8373,18,244,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8374,18,244,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 8375,18,244,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],9,3,10.5 8376,18,244,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBXDFASBTUWDHK-MFFVXOFNSA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1proton1ammonium,326.100167536,MBXDFASBTUWDHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8377,18,244,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-ZZXKWVIFSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+",O=C(/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8378,17,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,UHUFTBALEZWWIH-UHFFFAOYSA-N,"InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3",CCCCCCCCCCCCCC=O,C14H28O,pos_1_1proton1acetonitrile,212.214015516,UHUFTBALEZWWIH,Fatty acids,Fatty acyls,Fatty aldehydes,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 8379,17,147,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,UTOPWMOLSKOLTQ-UHFFFAOYSA-N,"InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)",CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C28H56O2,pos_2_2proton2acetonitrile,424.4280310319999,UTOPWMOLSKOLTQ,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 8380,16,346,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.31764197,ISDB,IOUVKUPGCMBWBT-UHFFFAOYSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O,C21H24O10,,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,2,11.270567893981934 8381,13,176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.94905275,ISDB,PZZRDJXEMZMZFD-IEGSVRCHSA-N,"InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,,434.0849113959998,PZZRDJXEMZMZFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,14.296211004257202 8382,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-ASMJPISFSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 8383,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HIWPGCMGAMJNRG-CQHUIXDMSA-N,"InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,HIWPGCMGAMJNRG,Carbohydrates,Saccharides,Disaccharides,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,3,7.5 8384,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],6,3,7.5 8385,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-WFVLMXAXSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,C12H22O11,pos_1_1proton1ammonium,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 8386,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-ASMJPISFSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 8387,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-WFVLMXAXSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1",OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,C12H22O11,pos_1_1proton1ammonium,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 8388,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 8389,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],6,3,7.5 8390,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 8391,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 8392,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 8393,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,3,7.5 8394,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 8395,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,HIWPGCMGAMJNRG-CQHUIXDMSA-N,"InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,HIWPGCMGAMJNRG,Carbohydrates,Saccharides,Disaccharides,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,3,7.5 8396,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],6,3,7.5 8397,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],6,3,7.5 8398,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 8399,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],6,3,7.5 8400,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,3,7.5 8401,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 8402,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,3,7.5 8403,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,3,7.5 8404,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,3,7.5 8405,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],6,3,7.5 8406,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 8407,12,22,Shikimates and Phenylpropanoids,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,3,7.5 8408,11,9,Terpenoids,Monoterpenoids,Dicarboxylic acids,0.0,MS1_match,FBPFZTCFMRRESA-JGWLITMVSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,C6H14O6,pos_1_1proton,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,0,9.0 8409,10,2,Fatty acids,Fatty amides,Fatty aldehydes,0.8004794,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,2,8.20191764831543 8410,9,68,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7986757,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,13.694702863693237 8411,8,145,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9749047,ISDB,OPJZLUXFQFQYAI-GNPVFZCLSA-N,"InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,,464.09547608,OPJZLUXFQFQYAI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus aria,222834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aria'],7,3,12.399618864059448 8412,7,227,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8413,5,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8414,5,58,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-XIMSSLRFSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5 8415,4,186,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KLDQRYHKZZCLKR-SSLCBRODSA-N,"InChI=1S/C15H18O10/c16-8-3-1-7(5-9(8)17)2-4-11(18)25-23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OOC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O10,pos_1_1sodium,358.089996776,KLDQRYHKZZCLKR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,3,7.5 8416,1,227,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],9,3,10.5